Publikationen

Bereich Biospektroskopie

Nummer/ numberTitelAutoren / authorsZeitschrift / magazinJahr/ yearDOILink
269Subjective cognitive complaints and blood biomarkers of neurodegenerative diseases: a longitudinal cohort studyPerna, L., Stocker, H., Burow, L., Beyer, L., Trares, K., Kurz, C., Gürsel, S., Holleczek, B., Tatò, M., Beyreuther, K., Mons, U., Gerwert, K., Perneczky, R., Schöttker, B., Brenner, H.Alzheimer’s Research & Therapy2023198 (15)10.1186/s13195-023-01341-3PDF
268Serum neurofilament light chain does not detect self-reported treatment-related fluctuations in chronic inflammatory demyelinating polyneuropathyPoser, P.L., Sajid, G.S., Beyer, L., Hieke1, A., Schumacher, A., Horstkemper, L., Karl, A.-S., Grüter, T., Sgodzai1, M., Pitarokoili, K., Gerwert, K., Gold, R., Fisse, A.L., Gisevius, B., Motte, J.european journal of neurology202310.1111/ene.16023PDF
267High cholesterol levels change the association of biomarkers of neurodegenerative diseases with dementia risk: Findings from a population-based cohort Perna, L., Mons, U., Stocker, H., Beyer, L., Beyreuther, K., Trares, K., Holleczek, B., Schöttker, B., Perneczky, R., Gerwert, K., Brenner, H.Alzheimer & Dementia202319 (7) 2913-292210.1002/alz.12933PDF
266Fast and label-free automated detection of microsatellite status in early colon cancer using artificial intelligence integrated infrared imagingGerwert, K., Schörner, S. , Großerueschkamp, F., Kraeft, A.-L., Schuhmacher, D., Sternemann, C., Feder, I. S., Wisser, S., Lugnier, C., Arnold, D., Teschendorf, C., Mueller, L., Timmesfeld, N., Mosig, A., Reinacher-Schick, A., Tannapfel, A.European Journal of Cancer2023182, 122-13110.1016/j.ejca.2022.12.026PDF
265Association of Kidney Function With Development of Alzheimer Disease and Other Dementias and Dementia-Related Blood BiomarkersStocker, H., Beyer, L., Trares, K., Perna, L., Rujescu, D., Holleczek, B., Beyreuther, K., Gerwert, K., Schöttker, B., Brenner, H.JAMA Network Open20236 (1)10.1001/jamanetworkopen.2022.52387PDF
264Amyloid-beta misfolding and GFAP predict risk of clinical Alzheimer’s disease diagnosis within 17 yearsBeyer, L., Stocker, H., Rujescu, D., Holleczek, B., Stockmann, J., Nabers, A., Brenner, H., Gerwert, K.Alzheimer & Dementiaonline: 2022 / print: 2023(19) 1020-102810.1002/alz.12745PDF
263Association of plasmabiomarkers, p-tau181, glial fibrillary acidic protein, and neurofilament light, with intermediate and long-term clinical Alzheimer's disease risk: Results from a prospective cohort followed over 17 yearsStocker, H., Beyer, L., Perna, L., Rujescu, D., Holleczek, B., Beyreuther, K., Stockmann, J., Schöttker1, B., Gerwert, K., Brenner, H.Alzheimer & Dementia202219 (1) 25-3510.1002/alz.12614PDF
262A Framework for Falsifiable Explanations of Machine Learning Models with an Application in Computational PathologySchuhmacher, D., Schoerner, S., Kuepper, C., Grosserueschkamp, F., Sternemann, C., Lugnier, C., Kraeft, A.-L., Juette, H., Tannapfel, A., Reinacher-Schick, A., Gerwert, K., Mosig, A.medRxiv202110.1101/2021.11.01.21265738PDF
261Diagnostics and Therapy Assessment Using Label-Free Raman ImagingEl-Mashtoly, S.F., Gerwert, K.Analytical Chemistry202110.1021/acs.analchem.1c04483PDF
260Aß misfolding in blood plasma is inversely associated with body mass index even in middle adulthoodMöllers, T., Stocker, H., Perna, L., Nabers, A., Rujescu, D., Hartmann, A.M., Holleczek, B., Schöttker, B., Gerwert, K., Brenner, H.Alzheimer's research & therapy202113 (1) 1-910.1186/s13195-021-00889-2PDF
259Correction to: Amyloid-ß misfolding as a plasma biomarker indicates risk for future clinical Alzheimer’s disease in individuals with subjective cognitive declineStockmann, J., Verberk, I.M.W., Timmesfeld, N., Denz, R., Budde, B., Lange-Leifhelm, J., Scheltens, P., van der Flier, W.M., Nabers, A., Teunissen, C.E., Gerwert, K.Alzheimer's Research & Therapy202113 (1), 1-310.1186/s13195-021-00770-2PDF
258Shape decomposition algorithms for laser capture microdissectionSelbach, L., Kowalski, T,, Gerwert, K., Buchin, M., Mosig, A.Algorithms for Molecular Biology202116, 1-1710.1186/s13015-021-00193-6PDF
257End-to-end Multiple Instance Learning for Whole-Slide Cytopathology of Urothelial CarcinomaButke, J., Frick, T., Roghmann, F., El-Mashtoli, S.F., Gerwert, K., Mosig, A.MICCAI Workshop on Computational Pathology202157-68PDF
256Automated detection of microsatellite status in early colon cancer (CC) using artificial intelligence (AI) integrated infrared (IR) imaging on unstained samples from the AIO ColoPredictPlus 2.0 (CPP) registry studyGroßerueschkamp, F., Schörner, S.M., Kraeft, A.-L., Schuhmacher, D., Sternemann, C., Jütte, H., Feder, I., Wisser, S., Lugnier, C., Overheu, O., Arnold, D., Teschendorf, C., Mueller, L., Uhl, W., Timmesfeld, N., Mosig, A., Reinacher-Schick, A., Gerwert, K., Tannapfel, A.Annals of Oncology202132, S531-S53210.1016/j.annonc.2021.08.907PDF
255Advances in digital pathology: from artificial intelligence to label-free imagingGroßerueschkamp, F., Jütte, H., Gerwert, K., Tannapfel, A.Visceral Medicine202137, 482-49010.1159/000518494PDF
254The association between plasma biomarkers, p-tau181, glial fibrillary acidic protein, and neurofilament light and clinical AD risk: results from prospective cohort study followed over 17 yearsStocker, H., Beyer, L., Perna, L., Schöttker, B., Gerwert, K., Brenner, H.Alzheimer's Association International Conference2021
253The subcellular arrangement of alpha-synuclein proteoforms in the Parkinson's disease brain as revealed by multicolor STED microscopyMoors, T.E., Maat, C.A., Niedieker, D., Mona, D., Petersen, D., Timmermans-Huisman, E., Kole, J., El-Mashtoly, S.F., Spycher, L., Zago, W., Barbour, R., Mundigl, O., Kaluza, K., Huber, S., Hug, M.N., Kremer, T., Ritter, M., Dziadek, S., Geurts, J.J.G., Gerwert, K., Britschgi, M., van de Berg, W.D.J.Acta Neuropathologica202110.1007/s00401-021-02329-9PDF
252Quantum Cascade Laser-Based Infrared Imaging as a Label-Free and Automated Approach to Determine Mutations in Lung AdenocarcinomaGoertzen, N., Pappesch, R., Fassunke, J., Brüning, T., Ko, Y.-D., Schmidt, J., Großerueschkamp, F., Buettner, R., Gerwert, K.The American Journal of Pathology2021Volume 191, Issue 7, 1269-128010.1016/j.ajpath.2021.04.013PDF
251Time-resolved spectroscopic andelectrophysiological data reveal insights in thegating mechanism of anion channelrhodopsinDreier, M.-A., Althoff, P., Norahan, M.J., Tennigkeit, S.A., El-Mashtoly, S.F., Lübben, M., Kötting, C., Rudack, T., Gerwert, K.Communications Biology20214, 57810.1038/s42003-021-02101-5PDF
250Genetic predisposition, Aß misfolding in blood plasma, and Alzheimer’s diseaseStocker, H., Nabers, A., Perna, L., Möllers, T., Rujescu, D., Hartmann, A.M., Holleczek, B., Schöttker, B., Stockmann, J., Gerwert, K., Brenner, H.Translational psychiatry202111 (1), 1-11, 6779-678310.1038/s41398-021-01380-0/PDF
249Microsecond-Resolved Infrared Spectroscopy on Nonrepetitive Protein Reactions by Applying Caged Compounds and Quantum Cascade Laser Frequency CombsNorahan, M.J., Horvath, R., Woitzik, N., Jouy, P., Eigenmann, F., Gerwert, K., Kötting, C.Analytical Chemistry202110.1021/acs.analchem.1c00666/PDF
248A representation learning approach for recovering scatter?corrected spectra from Fourier?transform infrared spectra of tissue samplesRaulf, A.P., Butke, J., Menzen, L., Küpper, C., Großerueschkamp, F., Gerwert, K., Mosig, A.Journal of Biophotonics2021(14) 310.1002/jbio.202000385PDF
247A Framework for Falsifiable Explanations of Machine Learning Models with an Application in Computational PathologySchuhmacher, D., Schörner, S., Küpper, C., Großerueschkamp, F., Sternemann, C., Lugnier, C., Kraeft, A.-L., Jütte, H., Tannapfel, A., Reinacher-Schick, A., Gerwert, K., Mosig, A.redRxiv2021PDF
246Application of Label-Free Proteomics for Quantitative Analysis of Urothelial Carcinoma and Cystitis TissueWitzke, K. E., Großerueschkamp, F., Gerwert, K., Sitek, B.Methods in Molecular Biology (Clifton, NJ) 2228, 283-2922021PDF
245The Ras Dimer StructureRudack, T., Teuber, C., Scherlo, M., Güldenhaupt, J., Schartner, J., Lübben, M., Klare, J.P., Gerwert, K., Kötting, C.Chemical Science202112, 8178 - 818910.1039/D1SC00957EPDF
244Aß misfolding in blood plasma measured by immuno-infrared-sensor as an age-independent risk marker of Alzheimer's diseaseMöllers, T., Stocker, H., Perna, L., Nabers, A., Rujescu, D., Hartmann, A.M., Holleczek, B., Schöttker, B., Gerwert, K., Brenner, H.Alzheimer's Dement.202113:e1215110.1002/dad2.12151PDF
243TDP-43 as structure-based biomarker in amyotrophic lateral sclerosisBeyer, L., Günther, R., Koch, J.C., Klebe, S., Hagenacker, T., Lingor, P., Biesalski, A.-S., Hermann, A., Nabers, A., Gold, R., Lönges, L., Gerwert, K.Annals of Clinical and Translational Neurology20218 (1), 271-27710.1002/acn3.51256PDF
242Amyloid-ß misfolding as a plasma biomarker indicates risk for future clinical Alzheimer’s disease in individuals with subjective cognitive declineStockmann, J., Verberk, I.M.W., Timmesfeld, N., Denz, R., Budde, B., Lange-Leifhelm, J., Scheltens, P., van der Flier, W., Nabers, A., Teunissen, C.E., Gerwert, K.Alzheimer's Research & Therapy202010.1186/s13195-020-00738-8PDF
241Label-free vibrational imaging of different Aß plaque types in Alzheimer’s disease reveals sequential events in plaque developmentRöhr, D., Boon, B.D.C., Schuler, M., Kremer, K., Hoozemans, J.J.M., Bouwman, F.H., El-Mashtoly, S.F., Nabers, A., Groserueschkamp, F., Rozemuller, A.M.J., Gerwert, K.Acta Neuropathol Commun202010.1186/s40478-020-01091-5PDF
240TDP-43 as structure-based biomarker in amyotrophic lateral sclerosisBeyer, L., Günther, R., Koch, J.C., Klebe, S., Hagenacker, T., Lingor, P., Biesalski, A.-S., Hermann, A., Nabers, A., Gold, R., Tönges, L., Gerwert, K.Annals of Clinical and Translational Neurology202010.1002/acn3.51256PDF
239Comparability of Raman Spectroscopic Configurations: A Large Scale Cross-Laboratory StudyGuo, S., Beleites, C., Neugebauer, U., Abalde-Cela, S., Afseth, N.K., Alsamad, F., Anand, S., Araujo-Andrade, C., Askrabic, S., Avci, E., Baia, M., Baranska, M., Baria, E., de Carvalho, L.A.E.B., de Bettignies, P., Bonifacio, A., Bonnier, F., Brauchle, E.M., Byrne, H.J., Chourpa, I., Cicchi, R., Cuisinier, F., Culha, M., Dahms, M., David, C., Duponchel, L., Duraipandian, S., El-Mashtoly, S.F., Ellis, D.I., Eppe, G., Falgayrac, G., Gamulin, O., Gardner, B., Gardner, P., Gerwert, K., Giamarellos-Bourboulis, E.J., Gizurarson, S., Gnyba, M., Goodacre, R., Grysan, P., Guntinas-Lichius, O., Helgadottir, H., Grosev, V.M., Kendall, C., Kiselev, R., Kölbach, M., Krafft, C., Krishnamoorthy, S., Kubryck, P., Lendl, B., Loza-Alvarez, P., Lyng, F.M., Machill, S., Malherbe, C., Marro, M., Marques, M.P.M., Matuszyk, E., Morasso, C.F., Moreau, M., Muhamadali, H., Mussi, V., Notingher, I., Pacia, M.Z., Pavone, F.S., Penel, G., Petersen, D., Piot, O., Rau, J.V., Richter, M., Rybarczyk, M.K., Salehi, H., Schenke-Layland, K., Schlücker, S., Schosserer, M., Schütze, K., Sergo, V., Sinjab, F., Smulko, J., Sockalingum, G.D., Stiebing, C., Stone, N., Untereiner, V., Vanna, R., Wieland, K., Popp, J., Bocklitz, T.Anal. Chem.202010.1021/acs.analchem.0c02696PDF
238Shape Decomposition Algorithms for LaserCapture MicrodissectionSelbach, L., Kowalski, T., Gerwert, K., Buchin, M., Mosig, A.20th International Workshop on Algorithms in Bioinformatics (WABI 2020)202010.4230/LIPIcs.WABI.2020.13PDF
237The Effect of (-)-Epigallocatechin-3-Gallate on the Amyloid-β Secondary StructureAcharya, A., Stockmann, J., Beyer, L., Rudack, T., Nabers, A., Gumbart, J.C., Gerwert, K., Batista, V.S.Biophys J.202010.1016/j.bpj.2020.05.033+PDF
236Label-free, automated classification of microsatellite status in colorectal cancer by infrared imagingKallenbach-Thieltges, A., Großerüschkamp, F., Jütte, H., Kuepper, C., Reinacher-Schick, A., Tannapfel, A., Gerwert, K.Scientific Reports202010: 1016110.1038/s41598-020-67052-zPDF
235Struktur-Biomarker zur Früherkennung von Morbus AlzheimerStockmann, J., Gerwert, K.Biospektrum202003/2020 (26) 259-261 (2020), DOI: 10.1007/s12268-020-1381-710.1007/s12268-020-1381-7PDF
234Grayscale representation of infrared microscopy images by extended multiplicative signal correction for registration with histological imagesTrukhan, S., Tafintseva, V., Tøndel, K., Großerüschkamp, F, Mosig, A., Kovalev, V., Gerwert, K., Kohler, A.J. Biophotonics.202013:e20196022310.1038/s41598-020-67052-zPDF
233Toward noninvasive follow-up of low-risk bladder cancer--Rationale and concept of the UroFollow trialBenderska-Söder, N., Hovanec, J., Pesch, B., Goebell, P. J., Roghmann, F., Noldus, J., Rabinovich, J., Wichert, K., Gleichenhagen, J., Käfferlein, H. U., Köhler, C. U., Johnen, G., Kernig, K., Hakenberg, O., Jahn, D., Todenhöfer, T., Stenzl, A., Gleissner, J., Gerwert, K., El-Mashtoly, S., Behrens, T., Brüning, T., Schmitz-Dräger, B. J.Urologic Oncology2020https://doi.org/10.1016/j.urolonc.2020.01.006PDF
232Lamprey Parapinopsin ("UVLamP"): a Bistable UV-Sensitive Optogenetic Switch for Ultrafast Control of GPCR PathwaysEickelbeck, D., Rudack, T., Tennigkeit, S.A., Surdin, T., Karapinar, R., Schwitalla, J.-C., Mücher, B., Shulman, M., Scherlo, M., Althoff, P., Mark, M.D., Gerwert, K., Herlitze, S.ChemBioChem202021: 612-617https://doi.org/10.1002/cbic.201900485PDF
231Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics SimulationsWolf, S., Amaral, M., Lowinski, M., Vallée, F., Musil, D., Güldenhaupt, J., Dreyer, M.K., Bomke, J., Frech, M., Schlitter, J., Gerwert, K.Journal of Chemical Information and Modeling201959: 5135-5147https://doi.org/10.1021/acs.jcim.9b00592PDF
230Label-Free Molecular Fingerprint-Based CytopathologyEl-Mashtoly, S.F., Gerwert, K.GIT Imaging & Microscopy201921: 3/2019, 23–25PDF
229Prediction of Alzheimer's disease diagnosis within 14 years through Aß misfolding in blood plasma compared to APOE4 status, and other risk factors.Stocker, H., Nabers, A., Perna, L., Möllers, T., Rujescu, D., Hartmann, A., Holleczek, B., Schöttker, B., Gerwert, K., Brenner, H.Alzheimer's & Dementia201916: 283-291https://doi.org/10.1016/j.jalz.2019.08.189PDF
228High-content screening Raman spectroscopy (HCS-RS) of panitumumab-exposed colorectal cancer cellsMondol, A.S., El-Mashtoly, S.F., Frick, T., Gerwert, K., Poppa, J., Schie, I.W.Analyst2019144: 6098-6107https://doi.org/10.1039/C9AN01176EPDF
227Fast Non-invasive Diagnosis of Cervical Cancer by Coherent anti-Stokes Raman ScatteringAljakouch, K., Hilal, Z., Daho, I., Schuler, M., Krauß, S.D., Yosef, H.K., Dierks, J., Mosig, A., Gerwert, K., El-Mashtoly, S.F.Analytical Chemistry201991: 13900−13906https://doi.org/10.1021/acs.analchem.9b03395PDF
226Reversible Immuno-Infrared Sensor for the Detection of Alzheimer's Disease Related BiomarkersBudde, B., Schartner, J., Tönges, L., Kötting, C., Nabers, A., Gerwert, K.ACS Sensors20194: 1851-1856https://doi.org/10.1021/acssensors.9b00631PDF
225GTP Hydrolysis Without an Active Site Base: A Unifying Mechanism for Ras and Related GTPasesCalixto, A.R., Moreira, C., Pabis, A., Kötting, C., Gerwert, K., Rudack, T., Kamerlin, S.C.L.Journal of the American Chemical Society (JACS)2019141: 10684-10701https://doi.org/10.1021/jacs.9b03193PDF
224Comparison of the molecular properties of retinitis pigmentosa P23H and N15S amino acid replacements in rhodopsinMitchell, J., Balem, F., Tirupula, K., Man, D., Dhiman, H.K., Yanamala, N., Ollesch, J., Planas-Iglesias, J., Jennings, B.J., Gerwert, K., Iannaccone, A., Klein-Seetharaman, J.PLoS ONE201914(5): e0214639https://doi.org/10.1371/journal.pone.0214639PDF
223Lewy pathology in Parkinson's disease consists of crowded organelles and lipid membranes.Shahmoradian, S.H., Lewis, A.J., Genoud, C., Hench, J., Moors, T.E., Navarro, P.P., Castaño-Díez, D., Schweighauser, G., Graff-Meyer, A., Goldie, K.N., Sütterlin, R.,Huisman, E., Ingrassia, A., de Gier, Y., Rozemuller, A.J.M., Wang, J., De Paepe, A., Erny J., Staempfli, A., Hoernschemeyer, J., Großerüschkamp, F., Niedieker, D., El-Mashtoly, S.F., Quadri, M., Van IJcken, W.F.J., Bonifati, V., Gerwert, K., Bohrmann, B., Frank, S., Britschgi, M., Stahlberg, H., Van de Berg, W.D.J., Lauer, M.E.Nature Neuroscience201922: 1099–1109https://doi.org/10.1038/s41593-019-0423-2PDF
222Deep representation learning for domain adaptable classification of infrared spectral imaging data.Raulf, A.P., Butke J., Küpper, C., Großerüschkamp, F., Gerwert, K., Mosig, A.Bioinformatics201936: 287-294https://doi.org/10.1093/bioinformatics/btz505PDF
221Unifying photocycle model for light adaptation and temporal evolution of cation conductance in channelrhodopsin-2.Kuhne, J., Vierock, J., Tennigkeit, S.A., Dreier, M.-A., Wietek, J., Petersen, D., Gavriljuk, K., El-Mashtoly, S.F., Hegemann, P., Gerwert, K.Proceedings of the National Academy of Sciences (PNAS)2019116: 9380-9389https://doi.org/10.1073/pnas.1818707116PDF
220An open-source code for Mie extinction extended multiplicative signal correction for infrared microscopy spectra of cells and tissues.Solheim, J.H., Gunko, E., Petersen, D., Großerüschkamp, F., Gerwert, K., Kohler, A.Journal of Biophotonics201912: e201800415https://doi.org/10.1002/jbio.201800415PDF
219Aß and tau structure-based biomarkers for a blood- and CSF-based two-step recruitment strategy to identify patients with dementia due to Alzheimer's diseaseNabers, A., Hafermann, H., Wiltfang, J., Gerwert, K.Alzheimer's & Dementia: Diagn., Assess. & Dis. Monit.201911: 257-263https://doi.org/10.1016/j.dadm.2019.01.008PDF
218Design of an ultra-fast G protein switch based on a mouse melanopsin variantTennigkeit, S.A., Karapinar, R., Rudack, T., Dreier, M.-A., Althoff, P., Eickelbeck, D., Surdin, T., Grömmke, M., Mark, M.D., Spoida, K., Lübben, M., Höweler, U., Herlitze, S., Gerwert, K.ChemBioChem201920: 1766-1771https://doi.org/10.1002/cbic.201900110PDF
217Integrated Fourier Transform Infrared Imagingand Proteomics for Identification of a CandidateHistochemical Biomarker in Bladder CancerWitzke, K., Großerueschkamp, F., Jütte, H.,Horn, M., Roghmann, F., von Landenberg, N., Bracht, T., Kallenbach-Thieltges, A., Käfferlein, H., Brüning, T., Schork, K., Eisenacher, M., Marcus, K., Noldus, J., Tannapfel, A., Sitek, B., Gerwert, K.The American Journal of Pathology2019189: 619-631https://doi.org/10.1016/j.ajpath.2018.11.018PDF
216Tracking Pore Hydration in Channelrhodopsin by Site-Directed Infrared Active-Azido ProbesKrause, B.S., Kaufmann,J.C.D., Kuhne, J., Vierock, J., Huber, T., Sakmar, T.P., Gerwert, K., Bartl, F., Hegemann, P.Biochemistry201958:1275-1286https://pubs.acs.org/doi/10.1021/acs.biochem.8b01211PDF
215FTIR Spectroscopy: A Comprehensive Biological InvestigatorMann, D., Köttig, C., Gerwert, K.BioPhotonics2018November/December 2018, 30-35PDF
214Label-free Digital PathologyGroßerüschkamp, F., Gerwert, K.GIT Laboratory Journal20185/2018:33-35PDF
213Exploring the efficacy and cellular uptake of sorafenib in colon cancer cells by Raman micro-spectroscopyYosef, H.K., Frick, T., Hammoud, M.K., Maghnouj, A., Hahn, S., Gerwert, K., El-Mashtoly, S.F.Analyst2018143: 6069-6078https://doi.org/10.1039/C8AN02029APDF
212Raman micro-spectroscopy monitors acquired resistance to targeted cancer therapy at the cellular levelHammoud, M.K., Yosef, H.K., Lechtonen, T., Aljakouch, K., Schuler, M., Alsaidi, W., Daho, I., Maghnouj, A., Hahn, S., El-Mashtoly, S.F., Gerwert, K.Scientific Reports20188: 15278https://doi.org/10.1038/s41598-018-33682-7PDF
211Monitoring transient events in infrared spectra using localmode analysisMassarczyk, M., Schlitter, J., Kötting, C., Rudack, T., Gerwert, K.Proteins201886, 1013–1019, DOI: 10.1002/prot.25536https://pubmed.ncbi.nlm.nih.gov/30019772/PDF
210gZeitaufgelöst und markerfrei gemessene ligandeninduzierte Konformationsänderungen von HSP90 – hin zu einem Konformationsaktivitätsscreening für die WirkstoffentwicklungGüldenhaupt, J., Amaral, M., Kötting, C., Schartner, J., Musil, D., Frech, M., Gerwert, K.Angewandte Chemie201857: 10103-10108https://doi.org/10.1002/ange.201802603PDF
210eLigand-induced conformational changes in HSP90 monitored time resolved and label free – towards a conformational activity screening for drug discoveryGüldenhaupt, J., Amaral, M., Kötting, C., Schartner, J., Musil, D., Frech, M., Gerwert, K.Angewandte Chemie International Edition201857: 9955-9960https://doi.org/10.1002/anie.201802603PDF
209Hierarchical deep convolutional neural networks combine spectral and spatial information for highly accurate Raman-microscopy-based cytopathologyKrauß, S.D., Roy, R., Yosef, H.K., Lechtonen, T., El-Mashtoly, S.F., Gerwert, K., Mosig, A.Journal of Biophotonics201811: e201800022https://doi.org/10.1002/jbio.201800022PDF
208Quantum Cascade Laser-Based Infrared Microscopy for Label-Free and Automated Cancer Classification in Tissue SectionsKuepper, C., Kallenbach-Thieltges, A., Juette, H., Tannapfel, A., Großerueschkamp, F., Gerwert, K.Scientific Reports20188: 7717https://doi.org/10.1038/s41598-018-26098-wPDF
207Highly stable Protein Immobilization via Maleimido-Thiol Chemistry to Monitor Enzymatic ActivitySchartner, J., Güldenhaupt, J., Gaßmeyer, S.K., Rosga, K., Kourist, R., Gerwert, K., Kötting, C.Analyst2018143: 2276-2284https://doi.org/10.1039/c8an00301gPDF
206Label-free identification of myopathological features with coherent anti-Stokes Raman scatteringNiedieker, D., Großerüschkamp, F., Schreiner, A., Barkovits, K., Kötting, C., Marcus, K., Gerwert, K., Vorgerd, M.Muscle Nerve201858: 456-459https://doi.org/10.1002/mus.26140PDF
205gRaman-mikrospektroskopischer Nachweis für den Metabolismus eines Tyrosinkinase-Inhibitors, Neratinib, in KrebszellenAljakouch, K., Lechtonen, T., Yosef, H.K., Hammoud, M.K., Alsaidi, W., Kötting, C., Mügge, C., Kourist, R., El-Mashtoly, S.F., Gerwert, K.Angewandte Chemie2018130: 7370-7374https://doi.org/10.1002/ange.201803394PDF
205eRaman Microspectroscopic Evidence for the Metabolism of a Tyrosine Kinase Inhibitor, Neratinib, in Cancer CellsAljakouch, K., Lechtonen, T., Yosef, H.K., Hammoud, M.K., Alsaidi, W., Kötting, C., Mügge, C., Kourist, R., El-Mashtoly, S.F., Gerwert, K.Angewandte Chemie International Edition201857: 7250-7254https://doi.org/10.1002/ange.201803394PDF
204Amyloid blood biomarker detects Alzheimer's diseaseNabers, A., Perna, L., Lange, J., Mons, U., Schartner, J., Güldenhaupt, J., Saum, K.-U., Janelidze, S., Holleczek, B., Rujescu, D., Hansson, O., Gerwert, K., Brenner, H.EMBO Molecular Medicine201810: e8763https://doi.org/10.15252/emmm.201708763PDF
203Specific Substates of Ras To Interact with GAPs and Effectors: Revealed by Theoretical Simulations and FTIR ExperimentsLi, Y., Zhang, Y., Groserüschkamp, F., Stephan, S., Cui, Q., Kötting, C., Xia, F., Gerwert, K.The Journal of Physical Chemistry Letters20189: 1312-1317https://doi.org/10.1021/acs.jpclett.8b00342PDF
202The Protonation States of GTP and GppNHp in Ras ProteinsMann, D., Güldenhaupt, J., Schartner, J., Gerwert, K., Kötting, C.Journal of Biological Chemistry (JBC)2018293: 3871-3879https://doi.org/10.1074/jbc.ra117.001110PDF
201Integrating spatial, morphological, and textural information for improved cell type differentiation using Raman microscopyKrauß, S.D., Yosef, H.K., Lechtonen, T., Jütte, H., Tannapfel, A., Käfferlein, H.U., Brüning, T., Roghmann, F., Noldus, J., El-Mashtoly, S.F., Gerwert, K., Mosig, A.Journal of Chemometrics201732: e2973https://doi.org/10.1002/cem.2973PDF
200Channelrhodopsin reveals its dark secretsGerwert, K.Science2017358: 1000-1001https://doi.org/10.1126/science.aar2299PDF
199Dynamical Binding Modes Determine Agonistic and Antagonistic Ligand Effects in the Prostate-Specific G-Protein Coupled Receptor (PSGR)Wolf, S., Jovancevic, N., Gelis, L., Pietsch, S., Hatt, H., Gerwert, K.Scientific Reports20177: 16007https://doi.org/10.1038/s41598-017-16001-4PDF
198Lewy pathology in Parkinson's disease consists of a crowded organellar membranous medleyShahmoradian, S.H., Genoud, C., Graff-Meyer, A., Hench, J., Moors, T., Schweighauser, G., Wang, J., Goldie, K.N., Suetterlin, R., Castano-Diez, D., Perez-Navarro, P., Huisman, E., Ipsen, S., Ingrassia, A., de Gier, Y., Rozemuller, A.J.M., Da Paepe, A., Erny, J., Staempfli, A., Hoernschemeyer, J., Grosserueschkamp, F., Niedieker, D., El-Mashtoly, S.F., Quadri, M., van Ijcken, W.F.J., Bonifati, V., Gerwert, K., Bohrmann, B., Frank, B., Britschgi, M., Stahlberg, H., van de Berg, W., Lauer, M.E.bioRxiv2017https://doi.org/10.1101/137976PDF
197An ATR-FTIR-Sensor Unraveling the Drug Intervention of Methylene Blue, Congo Red, and Berberine on Human Tau and AßSchartner, J., Nabers, A., Budde, B., Lange, J., Hoeck, N., Wiltfang, J., Kötting, C., Gerwert, K.ACS Medicinal Chemistry Letters20178: 710-714https://doi.org/10.1021/acsmedchemlett.7b00079PDF
196Non-invasive Diagnosis of High-grade Urothelial Carcinoma in Urine by Raman Spectral ImagingYosef, H.K., Krauß, S.D., Lechtonen, T., Jütte, H., Tannapfel, A., Käfferlein, H.U., Brüning, T., Roghmann, F., Noldus, J., Mosig, A., El-Mashtoly, S.F., Gerwert, K.Analytical Chemistry201789: 6893-6899https://doi.org/10.1021/acs.analchem.7b01403PDF
195Common mechanisms of catalysis in small and heterotrimeric GTPases and their respective GAPsGerwert, K., Mann, D., Kötting, C.Biological Chemistry2017398: 523-533https://doi.org/10.1515/hsz-2016-0314PDF
194Guest Editorial - Highlight: GTP- and ATP-dependent membrane processesGerwert, K.Biological Chemistry2017398: 519-521https://doi.org/10.1515/hsz-2017-0132PDF
193Der Computer als MikroskopMann, D., Kötting, C., Gerwert, K.GIT Labor-Fachzeitschrift20173/2017, 39–41PDF
192Spatial and molecular resolution of diffuse malignant mesothelioma heterogeneity by integrating labelfree FTIR imaging, laser capture microdissection and proteomicsGroßerüschkamp, F., Bracht, T., Diehl, H.C., Küpper, C., Ahrens, M., Kallenbach-Thieltges, A., Mosig, A., Eisenacher, M., Marcus, K., Behrens, T., Brüning, T., Theegarten, D., Sitek, B., Gerwert, K.Scientific Reports20177: 44829https://doi.org/10.1038/srep44829PDF
191Clinical application of infrared fibre-optic probes for the discrimination of colorectal cancer tissues and cancer gradesOllesch, J., Zaczek, M., Heise, H. M., Theisen, O., Großerüschkamp, F., Schmidt, R., Morgenroth, K., Philippou, S., Kemen, M., Gerwert, K.Vibrational Spectroscopy2017(91) 99-110PDF
190Raman fiber-optical method for colon cancer detection: Cross-validation and outlier identification approachPetersen, D., Naveedb, P., Ragheb, A., Niedieker, D., El-Mashtoly, S.F., Brechmann, T., Kötting, C., Schmiegel, W.H.,Freier, E., Pox, C., Gerwert, K.Spectrochimica Acta Part A: Mol. Biomol. Spectrosc.2017181: 270-275https://doi.org/10.1016/j.saa.2017.03.054PDF
189Local Mode Analysis: Decoding IR Spectra by Visualizing Molecular DetailsMassarczyk, M., Rudack, T., Schlitter, J., Kuhne, J., Kötting, C., Gerwert, K.The Journal of Physical Chemistry B2017121: 3483-3492https://doi.org/10.1021/acs.jpcb.6b09343PDF
188Asymmetric rhenium tricarbonyl complexes show superior luminescence properties in live cell imagingRaszeja, L.J., Siegmund, D., Cordes, A.L., Güldenhaupt, J., Gerwert, K., Hahn, S., Metzler-Nolte, N.Chemical Communications201753: 905-908https://doi.org/10.1039/c6cc07553cPDF
187Elucidation of Single Hydrogen Bonds in GTPases via Experimental and Theoretical Infrared SpectroscopyMann, D., Höweler, U., Kötting, C., Gerwert, K.Biophysical Journal2017112: 66-77https://doi.org/10.1016/j.bpj.2016.11.3195PDF
186Mechanism of the intrinsic arginine finger in heterotrimeric G proteinsMann, D., Teuber, C., Tennigkeit, S.A., Schröter, G., Gerwert, K., Kötting, C.Proceedings of the National Academy of Sciences (PNAS)2016113: E8041-E8050https://doi.org/10.1073/pnas.1612394113PDF
185Virtual Staining of Colon Cancer Tissue by Label-free Raman Micro-spectroscopyPetersen, D., Mavarani, L., Niedieker, D., Freier, E., Tannapfel, A., Kötting, C., Gerwert, K., El-Mashtoly, S.F.Analyst2016142: 1207-1215https://doi.org/10.1039/c6an02072kPDF
184Unraveling the phosphocholination mechanism of the Legionella pneumophila enzyme AnkXGavriljuk, K., Schartner, J., Seidel, H., Dickhut, C., Zahedi, R.P., Hedberg, C., Kötting, C., Gerwert, K.Biochemistry201655: 4375-4385https://doi.org/10.1021/acs.biochem.6b00524PDF
183[FeFe]-Hydrogenase with Chalcogenide Substitutions at the H-Cluster Maintains Full H2 Evolution Activity.Noth, J., Esselborn, J., Güldenhaupt, J., Brünje, A., Sawyer, A., Apfel, U.P., Gerwert, K., Hofmann, E., Winkler, M., Happe, T.Angewandte Chemie International Edition201655: 8396-83400https://doi.org/10.1002/ange.201511896PDF
182An infrared spectroscopic blood test for non-small cell lung carcinoma and subtyping into pulmonary squamous cell carcinoma or adenocarcinoma.Ollesch, J., Theegarten, D., Altmayer M., Darwiche, K., Hager, T., Stamatis, G., Gerwert, K.Biomedical Spectroscopy and Imaging20165: 129-144https://doi.org/10.3233/bsi-160144xPDF
181Thirty years of European Conference on Spectroscopy of Biological Molecules celebrated in Ruhr University BochumHaris, P.I., Gerwert, K.Biomedical Spectroscopy and Imaging20165: 99-100https://doi.org/10.3233/bsi-160142xPDF
180Label-free classification of colon cancer grading using infrared spectral histopathology.Kuepper, C., Großerueschkamp, F., Kallenbach-Thieltges, A., Mosig, A., Tannapfel, A., Gerwert, K.Faraday Discussions2016187: 105-118https://doi.org/10.1039/c5fd00157aPDF
179Amyloid-ß-Secondary Structure Distribution in Cerebrospinal Fluid and Blood Measured by an Immuno-Infrared-Sensor: A Biomarker Candidate for Alzheimer's Disease.Nabers, A., Ollesch, J., Schartner, J., Kötting, C., Genius, J., Hafermann, H., Klafki, H., Gerwert, K., Wiltfang, J.Analytical Chemistry201688: 2755-2762https://doi.org/10.1021/acs.analchem.5b04286PDF
178An infrared sensor analysing label-free the secondary structure of the Abeta peptide in presence of complex fluidsNabers, A., Ollesch, J., Schartner, J., Kötting, C., Genius, J., Haußmann, U., Klafki, H., Wiltfang, J., Gerwert, K.Journal of Biophotonics20163: 224-234https://doi.org/10.1002/jbio.201400145PDF
177Fully automated registration of vibrational microspectroscopic images in histologically stained tissue sections.Yang, C., Niedieker, D., Großerüschkamp, F., Horn, M., Tannapfel, A., Kallenbach-Thieltges, A., Gerwert, K., Mosig, A.BMC Bioinformatics201516: 396https://doi.org/10.1186/s12859-015-0804-9PDF
176Catalysis of GTP hydrolysis by small GTPases at atomic detail by integration of X-ray crystallography, experimental and theoretical IR spectroscopyRudack, T., Jenrich, S., Brucker, S., Vetter, I.R., Gerwert, K., Kötting, C.Journal of Biological Chemistry (JBC)2015290: 24079-24090https://doi.org/10.1074/jbc.M115.648071PDF
175In vitro prediction of the efficacy of molecularly targeted cancer therapy by Raman spectral imagingHesham, K.Y., Mavarani, L., Maghnouj, A., Hahn, S., El-Mashtoly, S.F., Gerwert, K.Analytical and Bioanalytical Chemistry2015407: 8321-8331https://doi.org/10.1007/s00216-015-8875-zPDF
174Label-free Raman spectroscopic imaging monitors the integral physiologically relevant drug responses in cancer cellsEl-Mashtoly, S.F., Yosef, H.K., Petersen, D., Mavarani, L., Maghnouj, A., Hahn, S.A., Kötting, C., Gerwert, K.Analytical Chemistry201587: 7297-7304https://doi.org/10.1021/acs.analchem.5b01431PDF
173Chemical Functionalization of Germanium with Dextran-Brushes for Immobilization of Proteins Revealed by ATR-FTIR Difference SpectroscopySchartner, J., Hoeck, N., Güldenhaupt, J., Mavarani, L., Nabers, A., Gerwert, K., Kötting, C.Analytical Chemistry201587: 7467-7475https://doi.org/10.1021/acs.analchem.5b01823PDF
172Integration of Fourier Transform Infrared Spectroscopy, Fluorescence Spectroscopy, Steady-State Kinetics and Molecular Dynamics Simulations of Gai1 distinguishes between the GTP Hydrolysis and GDP Release MechanismSchröter, G., Mann, D., Kötting, C., Gerwert, K.Journal of Biological Chemistry (JBC)2015290: 17085-17095https://doi.org/10.1074/jbc.M115.651190PDF
171Colocalization of fluorescence and Raman microscopic images for the identification of subcellular compartments: a validation studyKrauß, S.D., Petersen, D., Niedieker, D., Fricke, I., Freier, E., El-Mashtoly, S.F., Gerwert, K., Mosig, A.Analyst2015140: 2360-2368https://doi.org/10.1039/c4an02153cPDF
170A method for the comparison of multi-platform spectral histopathology (SHP) data sets.Ergin, A., Großerüschkamp, F., Theisen, O., Gerwert, K., Remiszewski, S., Thompson, C.M., Diem, M.Analyst2015140: 2465-2472https://doi.org/10.1039/C4AN01879FPDF
169Review: What vibrations tell us about GTPasesKotting, C., Gerwert, K.Biological Chemistry2015396: 131-144https://doi.org/10.1515/hsz-2014-0219PDF
168bEarly Formation of the Ion-Conducting Pore in Channelrhodopsin-2Kuhne, J., Eisenhauer, K., Ritter, E., Hegemann, P., Gerwert, K., Bartl, F.Angewandte Chemie International Edition201554: 4953-4957https://doi.org/10.1002/anie.201410180PDF
168aDie frühe Entstehung der ionenleitenden Pore in Channelrhodopsin-2Kuhne, J., Eisenhauer, K., Ritter, E., Hegemann, P., Gerwert, K., Bartl, F.Angewandte Chemie2015127: 5037-5041https://doi.org/10.1002/ange.201410180PDF
167Marker-free automated histopathological annotation of lung tumour subtypes by FTIR imagingGroßerüschkamp, F., Kallenbach-Thieltges, A., Behrens, T., Brüning, T., Altmayer, M., Stamatis, G., Theegarten, D., Gerwert, K.Analyst2015140: 2114-2120https://doi.org/10.1039/C4AN01978DPDF
166Infrared spectral marker bands characterizing a transient water wire inside a hydrophobic membrane proteinWolf, S., Freier, E., Cui, Q., Gerwert, K.The Journal of Chemical Physics2014141: 22D524https://doi.org/10.1063/1.4902237PDF
165Immobilization of proteins in their physiological active state via functionalized thiol monolayers on ATR-germanium crystalsSchartner, J., Gavriljuk, K., Nabers, A., Weide, P., Muhler, M., Gerwert, K., Kötting, C.ChemBioChem201415: 2529-2534https://doi.org/10.1002/cbic.201402478xPDF
164Reaction Mechanism of Adenylyltransferase DrrA from Legionella pneumophila Elucidated by Time-Resolved Fourier Transform Infrared SpectroscopyGavriljuk, K., Schartner, J., Itzen, A., Goody, R.S., Gerwert, K., Kötting, C.Journal of the American Chemical Society (JACS)2014136: 9338-9345https://doi.org/10.1021/ja501496dPDF
163A Delocalized Proton-Binding Site within a membrane ProteinWolf, S., Freier, E., Gerwert, K.Biophysical Journal2014107: 174-184https://doi.org/10.1016/j.bpj.2014.05.019PDF
162A modified infrared spectrometer with high time-resolution and its application for investigating fast conformational changes of the GTPase RasLin, J., Gerwert, K., Kötting, C.Applied Spectroscopy201468: 531-535https://doi.org/10.1366/13-07320xPDF
161Automated Identification of Subcellular Organelles by Coherent Anti-Stokes Raman ScatteringEl-Mashtoly, S.F., Niedieker, D., Petersen, D., Krauss, S.D., Freier, E., Maghnouj, A., Mosig, A., Hahn, S., Kötting, C., Gerwert, K.Biophysical Journal2014106: 1910-1920https://doi.org/10.1016/j.bpj.2014.03.025xPDF
160Label-free imaging of drug distribution and metabolism in colon cancer cells by Raman microscopy.El-Mashtoly, S.F., Petersen, D., Yosef, H.K., Mosig, A., Reinacher-Schick, A., Kötting, C., Gerwert, K.Analyst2013139: 1155-1161https://doi.org/10.1039/c3an01993dPDF
159It's in your blood: spectral biomarker candidates for urinary bladder cancer from automated FTIR spectroscopy.Ollesch, J., Heinze, M., Heise, H.M., Behrens, T., Brüning, T., Gerwert, K.Journal of Biophotonics20137: 210-221https://doi.org/10.1002/jbio.201300163PDF
158The role of protein-bound water molecules in microbial rhodopsinsGerwert, K., Freier, E., Wolf, S.BBA Bioenergetics20131837: 606–613https://doi.org/10.1016/j.bbabio.2013.09.006PDF
157Vibrational spectroscopy for label-free cancer detectionGerwert, K., Großerüschkamp, F., Ollesch, J.Spie201301/07https://doi.org/10.1117/2.1201312.005297PDF
156Similarity maps and hierarchical clustering for annotating FT-IR spectral imagesZhong, Q., Yang, C., Großerüschkamp, F., Kallenbach-Thieltges, A., Serocka, P., Gerwert, K., Mosig, A.BMC Bioinformatics201314: 333https://doi.org/10.1186/1471-2105-14-333PDF
155Membrane extraction of Rab proteins by GDP dissociation inhibitor characterized using attenuated total reflection infrared spectroscopyGavriljuk, K., Itzen, A., Goody, R.S., Gerwert, K., Kötting, C.Proceedings of the National Academy of Sciences (PNAS)2013110: 13380-13385https://doi.org/10.1073/pnas.1307655110PDF
154FTIR spectroscopy of biofluids revisited: an automated approach to spectral biomarker identificationOllesch, J., Drees, S.L., Heise, H.M., Behrens, T., Brüning, T., Gerwert, K.Analyst2013138: 4092 – 4102https://doi.org/10.1039/c3an00337jPDF
153The dynamics of the catalytic site in small GTPases, variations on a common motifKötting, C., Gerwert, K.FEBS Letters2013587: 2025–2027https://doi.org/10.1016/j.febslet.2013.05.021PDF
152Spectral Histopathology of colon cancer tissue sections by Raman imaging with 532 nm excitation provides label free annotation of lymphocytes, erythrocytes and proliferating nuclei of cancer cellsMavarani, L., Petersen, D., El-Mashtoly, S.F., Mosig, A., Tannapfel, A., Kötting, C., Gerwert, K.Analyst2013138: 4035–4039https://doi.org/10.1039/c3an00370aPDF
151Monitoring protein-ligand interactions by time-resolved FTIR difference spectroscopy.Kötting, C., Gerwert K.Protein-Ligand Interactions; Methods in Molecular Biology20131008: 299-323https://doi.org/10.1007/978-1-62703-398-5_11xPDF
150Krebs einfacher diagnostizieren - Welche Rolle spielen Proteine bei der Krebsentstehung?Gerwert, K.Rubin2013PDF
149Universal Method for Protein Immobilization on Chemically Functionalized Germanium Investigated by ATR-FTIR Difference SpectroscopySchartner, J., Güldenhaupt, J., Mei, B., Rögner, M., Muhler, M., Gerwert, K., Kötting, C. Journal of the American Chemical Society (JACS)2013135: 4079-4087https://doi.org/10.1021/ja400253pPDF
148Immunohistochemistry, histopathology and infrared spectral histopathology of colon cancer tissue sectionsKallenbach-Thieltges, A., Großerüschkamp, F., Mosig, A., Diem, M., Tannapfel, A., Gerwert, K.Journal of Biophotonics20136: 88-100https://doi.org/10.1002/jbio.201200132PDF
147Catalytic Mechanism of a Mammalian Rab•RabGAP Complex in Atomic DetailGavriljuk, K., Gazdag, E. M., Itzen, A., Kötting, C., Goody, R. S., Gerwert, K.Proceedings of the National Academy of Sciences (PNAS)2012109: 21348-21353https://doi.org/10.1073/pnas.1214431110PDF
146Time-resolved Fourier Transform Infrared Spectroscopy of the Nucleotide-binding Domain from the ATP-binding Cassette Transporter MsbASyberg, F., Suveyzdis, Y., Kötting, C., Gerwert, K., Hofmann, E.Journal of Biological Chemistry (JBC)2012287: 23923-23931https://doi.org/10.1074/jbc.M112.359208PDF
145Detailed structure of the H2PO4--GDP intermediate in Ras-GAP decoded from FTIR experiments by biomolecular simulationsXia, F., Rudack, T., Cui, Q., Kötting, C., Gerwert, K.Journal of the American Chemical Society (JACS)2012134: 20041-20044https://doi.org/10.1021/ja310496ePDF
144N-Ras forms dimers at POPC membranesGüldenhaupt, J., Rudack, T., Bachler, P., Mann, D., Triola, G., Waldmann, H.,Kötting, C.,Gerwert, K.Biophysical Journal2012103: 1585-1593https://doi.org/10.1016/j.bpj.2012.08.043PDF
143The Role of Magnesium for Geometry and Charge in GTP Hydrolysis, Revealed by Quantum Mechanics/Molecular Mechanics SimulationsRudack, T., Fei X., Schlitter, J., Kötting, C., Gerwert, K.Biophysical Journal2012103: 293–302https://doi.org/10.1016/j.bpj.2012.06.015PDF
142Ras and GTPase-activating protein (GAP) drive GTP into a precatalytic state as revealed by combining FTIR and biomolecular simulationsRudack, T., Fei X., Schlitter, J., Kötting, C., Gerwert, K.Proceedings of the National Academy of Sciences (PNAS)2012109: 15295-15300https://doi.org/10.1073/pnas.1204333109PDF
141Exploring the Multidimensional Free Energy Surface of Phosphoester Hydrolysis with Constrained QM/MM DynamicsLi, W., Rudack, T., Gerwert, K., Gräter, F., Schlitter, J.Journal of Chemical Theory and Computation20128: 3596-3604https://doi.org/10.1021/ct300022mPDF
140Surface attached polyhistidine-tag proteins characterized by FTIR difference spectroscopyPinkerneil, P., Güldenhaupt, J., Gerwert, K., Kötting, C.ChemPhysChem201213: 2649–2653https://doi.org/10.1002/cphc.201200358PDF
139Nanoscale distinction of membrane patches – a TERS study of Halobacterium salinarumDeckert-Gaudig, T., Böhme, R., Freier, E., Sebesta, A., Merkendorf, T., Popp, J., Gerwert, K., Deckert, V.Journal of BioPhotonics20125: 582–591https://doi.org/10.1002/jbio.201100131PDF
138In channelrhodopsin-2 E90 is crucial for ion selectivity and is deprotonated during the photocycleEisenhauer, K., Kuhne, J., Ritter, E., Berndt, A., Wolf, S., Freier, E., Bartl, F., Hegemann, P., Gerwert, K.Journal of Biological Chemistry (JBC)2012287: 6904-6911https://doi.org/10.1074/jbc.M111.327700PDF
137bPrediction of a ligand-binding niche within a human olfactory receptor by combining site-directed mutagenesis with dynamic homology modellingGelis, L., Wolf, S., Hatt, H., Neuhaus, E.M., Gerwert, K.Angewandte Chemie International Edition201251: 1274-1278https://doi.org/10.1002/anie.201103980PDF
137aVorhersage der Ligandenerkennung in einem Geruchsrezeptor durch Kombination von ortsgerichteter Mutagenese und dynamischer Homologie-ModellierungGelis, L., Wolf, S., Hatt, H., Neuhaus, E.M., Gerwert, K.Angewandte Chemie2012124: 1300-1304https://doi.org/10.1002/ange.201103980PDF
136Time-resolved FTIR spectroscopy for monitoring protein dynamics exemplified by functional studies of Ras protein bound to a lipid bilayerKötting, C., Güldenhaupt, J., Gerwert, K.Chemical Physics2012396: 72-83https://doi.org/10.1016/j.chemphys.2011.08.007PDF
135The Specific vibrational modes of GTP in solution and bound to Ras: a detailed theoretical analysis by QM/MM simulationsFei, X., Rudack, T., Kötting, C., Schlitter, J., Gerwert, K.Physical Chemistry Chemical Physics201113: 21451–21460https://doi.org/10.1039/c1cp22741fPDF
134The structure of active opsin as a basis for identification of GPCR agonists by dynamic homology modelling and virtual screening assaysSchneider, M., Wolf, S., Schlitter, J., Gerwert, K.FEBS Letters2011585: 3587-3592https://doi.org/10.1016/j.febslet.2011.10.027PDF
133Structural Basis of Slow Activation Gating in the Cardiac IKs Channel ComplexStrutz-Seebohm, N., Pusch, M., Wolf, S., Stoll, R., Tapken, D., Gerwert, K., Attali, B., Seebohm, G.Cellular Physiology and Biochemistry201127: 443-452https://doi.org/10.1159/000329965PDF
132Proton transfer via a transient linear water-molecule chain in a membrane proteinFreier, E., Wolf, S., Gerwert, K.Proceedings of the National Academy of Sciences (PNAS)2011108: 11435-11439https://doi.org/10.1073/pnas.1104735108PDF
131Histidine is involved in coupling proton uptake to electron transfer in photosynthetic proteinsOnidas, D., Stachnik, J. M., Brucker, S., Krätzig, S., Gerwert, K.European Journal of Cell Biology201089: 983–989https://doi.org/10.1016/j.ejcb.2010.08.007PDF
130Label-Free Screening of Drug-protein Interactions by trFTIR Spectroscopic Assays Exemplified by Ras InteractionsKötting, C., Suveyzdis, Y., Bojja, R., Metzler Nolte, N., Gerwert, K.Applied Spectroscopy201064: 967-972https://doi.org/10.1366/000370210792434341xPDF
129Fourier Transform Infrared (FTIR) SpectroscopyGerwert, K., Kötting, C. Encyclopedia of Life Sciences20101-8https://doi.org/10.1002/9780470015902.a0003112.pub2xPDF
128eDirectional Proton Transfer in Membrane Proteins Achieved through protonated Protein-Bound Water Molecules: A Proton-DiodeWolf, S., Freier, E., Potschies, M., Hofmann, E., Gerwert, K.Angewandte Chemie International Edition201049: 6889-6893https://doi.org/10.1002/anie.201001243PDF
128gGerichteter Protonentransfer in Membranproteinen mittels protonierter proteingebundener Wassermoleküle: eine ProtonendiodeWolf, S., Freier, E., Potschies, M., Hofmann, E., Gerwert, K.Angewandte Chemie2010122: 7041-7046https://doi.org/10.1002/anie.201001243PDF
127Tyr39 of Ran preserves the Ran·GTP gradient by inhibiting GTP hydrolysisBrucker, S., Gerwert, K., Kötting, C.Journal of Molecular Biology (JMB)2010401: 1–6https://doi.org/10.1016/j.jmb.2010.05.068PDF
126Unraveling the mechanism of dual-specificity GAPsBegoña Sot, B., Kötting, C., Deaconescu, D., Suveyzdis, Y., Gerwert, K., Wittinghofer, A.The EMBO Journal201029: 1205-1214https://doi.org/10.1038/emboj.2010.20PDF
125Spectroscopic investigation of the reaction mechanism of CopB-B, the catalytic fragment from an archaeal thermophilic ATP-driven heavy metal transporterVöllmecke, C., Kötting, C., Gerwert, K., Lübben, M.FEBS Journal2009276: 6172–6186https://doi.org/10.1111/j.1742-4658.2009.07320.xPDF
124How does a membrane protein achieve a vectorial proton transfer via water molecules?Wolf, S., Freier, E., Gerwert, K.ChemPhysChem20089: 2772-2778https://doi.org/10.1002/cphc.200800703PDF
123Dynamik der ProteineKötting. C., Gerwert, K.BIOforum20086/2008, 36-38PDF
122Secondary Structure of Lipidated Ras bound to a Lipid BilayerGüldenhaupt, J., Adigüzel, Y., Kuhlmann, J., Waldmann, H., Kötting, K., Gerwert, K.FEBS Journal2008275: 5910-5918https://doi.org/10.1111/j.1742-4658.2008.06720.xPDF
121Simulations of a G protein-coupled receptor homology model predict dynamic features and a ligand binding siteWolf, S., Böckmann, S., Höweler, U., Schlitter, J., Gerwert, K.FEBS Letters2008582: 3335-3342https://doi.org/10.1016/j.febslet.2008.08.022PDF
120Dynamik der ProteineKötting, C., Gerwert, K.GIT Labor-Fachzeitschrift20089/2008: S. 772–774PDF
119Structural changes of membrane anchored PrPCElfrink, K., Ollesch, J., Stöhr, C., Willbold, D., Riesner, D., Gerwert, K.Proceedings of the National Academy of Sciences (PNAS)2008105: 10815-10819https://doi.org/10.1073/pnas.0804721105PDF
118Systematic approach to group-specific isotopic labeling of proteins for vibrational spectroscopyWarscheid, B., Brucker, S., Kallenbach, A., Meyer, H.E., Gerwert, K., Kötting, C.Vibrational Spectroscopy200848: 28–36https://doi.org/10.1016/j.vibspec.2007.11.003PDF
117The GAP arginine finger movement into the catalytic site of Ras increases the activation entropyKötting, C., Kallenbach, A., Suveyzdis, Y., Wittinghofer, A., Gerwert, K.Proceedings of the National Academy of Sciences (PNAS)2008105: 6260-6265https://doi.org/10.1073/pnas.0712095105PDF
116Secondary structure and distribution of fusogenic LV-peptides in lipid membranesOllesch, J., Poschner, B.C., Nikolaus, J., Hofmann, M.W., Herrmann, A., Gerwert, K., Langosch, D.European Biophysics Journal200837: 435-445https://doi.org/10.1007/s00249-007-0233-4PDF
115Role of the arginine finger in Ras?RasGAP revealed by QM/MM calculationste Heesen, H., Gerwert, K., Schlitter, J.FEBS Letters2007581: 5677-5684https://doi.org/10.1016/j.febslet.2007.11.026PDF
114Prion Protein a-to-ß Transition Monitored by Time-Resolved Fourier Transform Infrared Spectroscopy Ollesch, J., Künnemann, E., Glockshuber, R., Gerwert, K.Applied Spectroscopy200761: 1025-1031https://doi.org/10.1366/000370207782217680xPDF
113Protein Reactions: Resolved with tr-FTIRKötting, C., Gerwert, K.Spectroscopy Europe200719 3: 19-23PDF
112Surface change of Ras enabling effector binding monitored in real time at atomic resolutionKötting, C., Kallenbach, A., Suveyzdis, Y., Eichholz, C., Gerwert, K.ChemBioChem20078: 781-787https://doi.org/10.1002/cbic.200600552PDF
111Insight into catalysis of a unique GTPase reaction by a combined biochemical and FTIR approachChakrabarti, P., Daumke, O., Suveyzdis, Y., Kötting, C., Gerwert, K., Wittinghofer, A.Journal of Molecular Biology (JMB)2007367: 983-995https://doi.org/10.1016/j.jmb.2006.11.022PDF
110Proton uptake in the reaction center mutant L210DN from Rhodobacter sphaeroides via protonated water moleculesHermes, S., Stachnik, J.M., Onidas, D., Remy, A., Hofmann, E., Gerwert, K.Biochemistry200645: 13741-13748https://doi.org/10.1021/bi060742qPDF
109Proteinreaktionen: aufgelöst mit trFTIRKötting, C., Gerwert, K.Nachrichten aus der Chemie200654: 959-965https://doi.org/10.1002/nadc.20060541006xPDF
108A phosphoryl transfer intermediate in the GTPase reaction of Ras in complex with its GTPase-activating proteinKötting, C., Blessenohl, M., Suveyzdis, Y., Goody, R.S., Wittinghofer, A., Gerwert, K.Proceedings of the National Academy of Sciences (PNAS)2006103: 13911-13916https://doi.org/10.1073/pnas.0604128103PDF
107Polarised FTIR Spectroscopy in Conjunction with in situ H/D Exchange reveals the Orientation of Protein Internal Carboxylic AcidsGarczarek, F., Gerwert, K.Journal of the American Chemical Society (JACS)2006128: 28-29https://doi.org/10.1021/ja056488rPDF
106A time-resolved Fe-specific X-ray absorption experiment yields no evidence for a Fe2+->Fe3+ transition during QA --> QB electron transfer in the photosynthetic reaction centerHermes, S., Bremm, O., Garczarek, F., Derrien, V., Liebisch, P., Loja, P., Sebban, P., Gerwert, K., Haumann, M.Biochemistry200645: 353-359https://doi.org/10.1021/bi0515725PDF
105Functional waters in intraprotein proton transfer monitored by FTIR difference spectroscopy.Garczarek, F., Gerwert, K.Nature2006439: 109-112https://doi.org/10.1038/nature04231PDF
104Monitoring Protein-Protein Interactions by Time-resolved FTIR Difference SpectroscopyKötting, C., Gerwert, K.Protein-Protein Interactions; A molecular cloning Manual, 2nd edition2005xPDF
103Monitoring Protein-Ligand Interactions by Time-resolved FTIR Difference Spectroscopy Kötting, C., Gerwert, K.Protein-Ligand Interactions; Methods in Molecular Biology2005https://doi.org/10.1385/1-59259-912-5:261xPDF
102Theoretical IR Spectroscopy Based on QM/MM Calculations Provides Changes in Charge Distribution, Bond Length, and Bond Angles of the GTP Ligand Induced by the Ras-ProteinKlähn, M., Schlitter, J., Gerwert, K.Biophysical Journal200588: 3829-3844https://doi.org/10.1529/biophysj.104.058644PDF
101Proteins in Action Monitored by Time-Resolved FTIR SpectroscopyKötting, C., Gerwert, K.ChemPhysChem20056: 881-888https://doi.org/10.1002/cphc.200400504PDF
100Light-induced reactions of Escherichia coli DNA photolyase monitored by Fourier transform infrared spectroscopySchleicher, E., Heßling, B., Illarinova, V., Bacher, A., Weber, S., Richter, G., Gerwert, K.FEBS Journal2005272: 1-12https://doi.org/10.1111/j.1742-4658.2005.04617.xPDF
099Proton binding within a membrane protein by a protonated water clusterGarczarek, F., Brown, L.S., Lanyi, J.K., Gerwert, K.Proceedings of the National Academy of Sciences (PNAS)2005102: 3633-3638https://doi.org/10.1073/pnas.0500421102PDF
098Water Dynamics Simulation as a Tool for Probing Proton Transfer Pathways in a Heptahelical Membrane ProteinKandt, C., Gerwert, K., Schlitter, J.PROTEINS: Structure, Function, and Bioinformatics200558: 528-537https://doi.org/10.1002/prot.20343PDF
097Time-resolved FTIR studies provide activation free energy, activation enthalpy and activation entropy for GTPase reactionsKötting, C., Gerwert, K.Chemical Physics2004307: 227-232https://doi.org/10.1016/j.chemphys.2004.06.051PDF
096Reply to „Complementaries and Convergence of Results in Bacteriorhodopsin Trimer Simulations“Kandt, C., Schlitter, J., Gerwert, K.Biophysical Journal200487: 1396-1396https://doi.org/10.1529/biophysj.104.045526PDF
095The Assignment of the Different Infrared Continuum Absorbance Changes Observed in the 3000-1800-cm –1 Region during the Bacteriorhodopsin PhotocycleGarczarek, F., Wang, J., El-Sayed, M. A., Gerwert, K.Biophysical Journal200487: 2676-2682https://doi.org/10.1529/biophysj.104.046433PDF
094IR Spectra of Phosphate Ions in Aqueous Solution : Predictions of a DFT/MM Approach Compared with ObservationsKlähn, M., Mathias, G., Kötting, C., Nonella, M., Schlitter, J., Gerwert, K., Tavan, P.The Journal of Physical Chemistry A2004108: 6186-6194https://doi.org/10.1021/jp048617gPDF
093Fourier Transform Infrared Spectroscopy on the Rap•RapGAP Reaction, GTPase Activation without an Arginine FingerChakrabarti, P., Suveyzdis, Y., Wittinghofer, A., Gerwert, K.Journal of Biological Chemistry (JBC)2004279: 46226-46233https://doi.org/10.1074/jbc.M405603200PDF
092De Novo design of conformationally flexible transmembrane peptides driving membrane fusionHofmann, M. W., Weise, K., Ollesch, J., Agrawal, P., Stalz, H., Stelzer, W., Hulsbergen, F., deGroot, H., Gerwert, K., Reed, J., Langosch, D.Proceedings of the National Academy of Sciences (PNAS)2004101: 14776-14781https://doi.org/10.1073/pnas.0405175101PDF
091FTIR spectroscopy shows structural similarities between photosystems II from cyanobacteria and spinachRemy, A., Niklas, J., Kuhl, H., Kellers, P., Schrott, T., Rögner, M., Gerwert, K.European Journal of Biochemistry2004271: 563-567https://doi.org/10.1046/j.1432-1033.2003.03958.xPDF
090Dynamics of Water Molecules in the Bacteriorhodopsin Trimer in Explicit Lipid/Water EnvironmentKandt, C., Schlitter, J., Gerwert, K.Biophysical Journal200486: 705-717https://doi.org/10.1016/S0006-3495(04)74149-1PDF
089Zeitaufgelöste trFTIR-Studien zeigen Proteine in AktionBourdos, N., Gerwert, K.Laborwelt20034: No. 6, 31-34PDF
088Coupling of light-induced electron transfer to proton uptake in photosynthesisRemy, A., Gerwert, K.Nature Structural & Molecular Biology200310: 637–644https://doi.org/10.1038/nsb954PDF
087Does different orientation of the methoxy groups of ubiquinone-10 in the reaction centre of Rhodobacter sphaeroides cause different binding at QA and QB?Remy, A., Boers, R.B., Egorova-Zachernyuk, T., Gast, P., Lugtenburg, J., Gerwert, K.European Journal of Biochemistry2003270: 3603-3609https://doi.org/10.1046/j.1432-1033.2003.03746.xPDF
086Proteins at work monitored by time-resolved FTIR-difference spectroscopyGerwert, K.Biophysical Journal200282: 36PDF
085GTPase mechanism of Ras studied by time-resolved FTIR spectroscopy.Gerwert, K.Abstracts Of Papers Of The American Chemical Society2002223: C25-C25PDF
084Probing protein folding with time-resolved FTIR spectroscopy - Novel techniques for the investigation of changes in protein conformationKauffmann, E., Austin, R. H., Gerwert, K.B.I.F. Futura200116: 152-158PDF
083Molecular Reaction Mechanisms of Proteins Monitored by Time-resolved FTIR Difference SpectroscopyGerwert, K.Handbook of Vibrational Spectroscopy; Volume 5 - Applications of Vibrational Spectroscopy in Life and Natural Sciences2001xPDF
082pKa Calculations Suggest Storage of an Excess Proton in a Hydrogen-Bonded Water Network in Bacteriorhodopsin.Spassov, V.Z., Luecke, H., Bashford, D., Gerwert, K.Journal of Molecular Biology (JMB)2001312: 203-219https://doi.org/10.1006/jmbi.2001.4902PDF
081Monitoring the GAP Catalyzed H-Ras p21 GTPase Reaction at Atomic Resolution in Real Time.Allin, C., Ahmadian, M.R., Wittinghofer, A., Gerwert, K.Proceedings of the National Academy of Sciences (PNAS)200198: 7754 – 7759https://doi.org/10.1073/pnas.131549798PDF
080Time-Resolved Detection of Transient Movement of Helices F and G in Doubly Spin-Labeled Bacteriorhodopsin. Radzwill, N., Gerwert, K., Steinhoff, H.-J.Biophysical Journal200180: 2856 – 2866https://doi.org/10.1016/S0006-3495(01)76252-2PDF
079Lifetimes of intermediates in the beta-sheet to alpha-helix transition of beta-lactoglobulin by using a diffusional IR mixer IR mixer.Kauffmann, E., Darnton, N.C., Austin, R.H., Batt, C., Gerwert, K.Proceedings of the National Academy of Sciences (PNAS)200198: 6646 - 6649"https://doi.org/10.1073/pnas.101122898PDF
078Structure of the I1 early intermediate of photoactive yellow protein by FTIR spectroscopy.Brudler, R., Rammelsberg, R., Woo, T.T., Getzoff, E.D., Gerwert, K.Nature Structural Biology20018: 265 – 270https://doi.org/10.1038/85021PDF
077Ras Catalyzes GTP Hydrolysis by Shifting Negative chargees from gamma- to beta-Phosphate as revealed by Time-resolved FTIR Difference SpectroscopyAllin, C., Gerwert, K.Biochemistry200140: 3037 – 3046https://doi.org/10.1021/bi0017024PDF
076Coupling of Hydrogen Bonding to Chromophore Conformation and Function in Photoactive Yellow Protein.Brudler, R., Meyer, T.E., Genick, U.K.D., Woo, T.T., Millar, D.P., Gerwert, K., Cusanovich, M.A., Tollin, G.,Getzoff, E.D.Biochemistry200039: 13478-13486https://doi.org/10.1021/bi0009946PDF
075Molecular Reaction Mechanisms of Proteins Monitored by Time-Resolved FTIR and FT-Raman SpectroscopyGerwert, K.ACS Symposium Series; Infrared Analysis of Peptides and Proteins2000750: 159-166https://doi.org/10.1021/bk-2000-0750.ch008PDF
074Time-Resolved FT-IR Difference Spectroscopy: A Tool to Monitor Molecular Reaction of ProteinsGerwert, K.Infrared and Raman Spectroscopy of Biological Materials2000193-230xPDF
073Unraveling Photoexcited Conformational Changes of Bacteriorhodopsin by Time Resolved EPR SpectroscopyRink, Th., Pfeiffer, M., Oesterhelt, D., Gerwert, K., Steinhoff, H.-J.Biophysical Journal200078: 1519-1530https://doi.org/10.1016/S0006-3495(00)76704-XPDF
072Dual Photoactive Species in Glu46Asp and Glu46Ala Mutants of Photoactive Yellow Protein: a pH Driven Color Transition Devanathan, S., Brudler, R., Heßling, B., Woo, T.T., Gerwert, K., Getzoff, E.D., Cusanovich, M.A., Tollin, G.Biochemistry199938: 13766-13772https://doi.org/10.1021/bi991634pPDF
071Efficient Conditions for the Photoaccumulation of HA- in the Photosynthetic Reaction Centres of Rhodobacter sphaeroides R 26 with Uniformly Labelled Bacteriopheophytin Monitored by Fourier Transform Infrared Difference Spectroscopy Egorova-Zachernyuk, T., Remy, A., Shkuropatov, A., Gast, P., Hoff, A., Gerwert, K., de Groot, H.Vibrational Spectroscopy199919: 347-352https://doi.org/10.1016/S0924-2031(99)00010-7PDF
070Azide Reduces the Hydrophobic Barrier of the Bacterorhodopsin Proton ChannelSteinhoff, H.-J., Pfeiffer, M., Rink, Th., Burlon, O., Kurz, M., Riesle, J., Heuberger, E., Gerwert, K., Oesterhelt, D.Biophysical Journal199976: 2702-2710https://doi.org/10.1016/S0006-3495(99)77422-9PDF
069Time-Resolved Step-Scan FT-IR Spectroscopy of Noncyclic ReactionsRammelsberg, R., Gerwert, K.Proceedings of the Twelfth International Conference on Fourier Transform Spectroscopy1999xPDF
068Molecular Reaction Mechanisms of Proteins Monitored by Time-Resolved FTIR-SpectroscopyGerwert, K.Biological Chemistry1999380: 931-935https://doi.org/10.1515/BC.1999.115PDF
067StrukturbiologieGerwert, K.Biologie 20001999xPDF
066Proteine in AktionGerwert, K.BIORUBIN1999xPDF
065Site-directed Spin-labeling Reveals the Orientation of the Amino Acid Side-chains in the E-F LoopPfeiffer, M., Rink, Th., Gerwert, K., Oesterhelt, D., Steinhoff, H.-J.Journal of Molecular Biology (JMB)1999287: 163-171https://doi.org/10.1006/jmbi.1998.2593PDF
064Set-up for time-resolved step-scan FTIR spectroscopy of noncyclic reactionsRammelsberg, R., Boulas, S., Chorongiewski, H., Gerwert, K.Vibrational Spectroscopy199919: 143-149https://doi.org/10.1016/S0924-2031(99)00013-2PDF
063Elektron transfer induces side chain conformational changes of Glu-286 from cytochrome bo3Lübben, M., Prutsch, A., Mamat, B., Gerwert, K.Biochemistry199938: 2048-2056https://doi.org/10.1021/bi981859kPDF
062Time-resolved FTIR studies of the GTPase reaction of H-ras p21 reveal a keyrole for the beta-phosphateCepus, V., Scheidig, A.J., Goody, R.S., Gerwert, K.Biochemistry199837: 10263-10271https://doi.org/10.1021/bi973183jPDF
061Bacteriorhodopsin’s Intramolecular Proton-Release Pathway Consists of a Hydrogen-Bonded NetworkRammelsberg, R., Huhn, G., Lübben, M., Gerwert, K.Biochemistry199837: 5001-5009https://doi.org/10.1021/bi971701kPDF
060Step-scan FTIR spectroscopy of the QA-QB?QAQB- transition in Rb. sphaeroides R26 reaction centresBrudler, R., Gerwert, K.Photosynthesis Research199855: 261-266https://doi.org/10.1023/A:1006034322353PDF
059FTIR photolysis studies of caged compoundsCepus, V., Ulbrich, C., Allin, C., Troullier, A., Gerwert, K.Methods in Enzymology1998291: 223-245https://doi.org/10.1016/s0076-6879(98)91015-1xPDF
058Proteins at work: Time-resolved FTIR studies of bacteriorhodopsin and the GTP-binding protein P21.Gerwert, K.Interacting Protein Domains, Their Role in Signal and Energy Transduction199763-72https://doi.org/10.1007/978-3-642-60848-3_11xPDF
057Zeitaufgelöste FTIR-Spektroskopie zur Bestimmung molekularer Reaktionsmechanismen von ProteinenGerwert, K.Biospektrum19972: 34-39PDF
056Spin labeling studies of the conformational changes in the vicinity of D36,D38,T46 and E161 of bacteriorhodopsin during the photocycleRink, Th., Riesle, J., Oesterhelt, D., Gerwert, K., Steinhoff, H.-J.Biophysical Journal199773: 983-993https://doi.org/10.1016/S0006-3495(97)78131-1PDF
055Reconstitution of Bacteriorhodopsin from the Apoprotein and Retinal studied by Fourier-transform Infrared SpectroscopyRüdiger, M., Tittor, J., Gerwert, K., Oesterhelt, D.Biochemistry199736: 4867-4874https://doi.org/10.1021/bi962426pPDF
054Molecular reaction mechanisms of proteins monitored by nanosecond step-scan FT-IR difference spectroscopyRammelsberg, R., Heßling, B., Chorongiewski, H., Gerwert, K.Applied Spectroscopy199751: 558-562https://doi.org/10.1366/0003702971940585PDF
053Fourier Transform Infrared Double-Flash Experiments Resolve Bacteriorhodopsin’s M1 to M2 TransitionHessling, B., Herbst, J., Rammelsberg, R., Gerwert, K.Biophysical Journal199773: 2071-2080https://doi.org/10.1016/S0006-3495(97)78237-7PDF
052Redox-FTIR difference spectroscopy using caged electrons reveals contribution of carboxyl groups to the catalytic mechanism of haemcopper oxidasesLübben, M., Gerwert, K.FEBS Letters1996397: 303-307https://doi.org/10.1016/S0014-5793(96)01174-XPDF
051Kinetic Isotope effects reveal an ice-like and a liquid-phase-type intramolecular proton transfer in Bacteriorhodopsinle Coutre, J., Gerwert, K.FEBS Letters1996398: 333-336https://doi.org/10.1016/S0014-5793(96)01254-9PDF
050A time resolved FTIR difference spectroscopy study of the SR Ca2+-ATPase: kinetics of the high affinity calcium binding at low temperatureTroullier, A., Gerwert, K., Dupont, Y.Biophysical Journal199671: 2970-2983https://doi.org/10.1016/S0006-3495(96)79537-1PDF
049FTIR spectroscopic characterization of the QA and QB binding sites in Rhodobacter sphaeroides R26 reaction centers.Brudler, R., de Groot, H.J.M., van Liemt, W.B.S., Gast, P., Hoff, A.J., Lugtenburg, J., Gerwert, K.The Reaction Center of Photosynthetic Bacteria1996395-404https://doi.org/10.1007/978-3-642-61157-5_31xPDF
048Wie funktionieren Proteine?Gerwert, K.RUBIN19952PDF
047FTIR spectroscopy shows weak symmetric hydrogen bonding of the QB carbonyl groups in Rhodobacter sphaeroides R26 reaction centresBrudler, R., de Groot, H.J.M., van Liemt, W.B.S., Gast, P., Hoff, A.J., Lugtenburg, J., Gerwert, K.FEBS Letters1995370: 88-92https://doi.org/10.1016/0014-5793(95)00805-JPDF
046Investigation of fast reactions and intermediatesGerwert, K. Infrared and Raman Spectroscopy, Methods and Applications1995617-637xPDF
045Computational Studies on Early Intermediates of Bacteriorhodopsin PhotocycleEngels, M., Gerwert, K., Bashford, D.Biophysical Chemistry199556: 95-104https://doi.org/10.1016/0301-4622(95)00020-XPDF
044Chemical reconstitution of a chloride pump inactivated by a single point mutationRüdiger, M., Haupts, U., Gerwert, K., Oesterhelt, D.EMBO Journal199514: 1599-1606https://doi.org/10.1002/j.1460-2075.1995.tb07148.xPDF
043FTIR investigation of the blue to acid -purple transition of Bacteriorhodopsin by use of induced halide bindingle Coutre, J., Rüdiger, M., Oesterhelt, D., Gerwert, K.Journal of Molecular Structure1995349: 165-168https://doi.org/10.1016/0022-2860(95)08735-EPDF
042Experimental evidence for hydrogen-bonded network proton transfer in bacteriorhodopsin shown by FTIR spectroscopy using azide as catalystle Coutre, J., Tittor, J., Oesterhelt, D., Gerwert, K.Proceedings of the National Academy of Sciences (PNAS)199592: 4962-4966https://doi.org/10.1073/pnas.92.11.4962PDF
041Asymmetric binding of the 1- and 4-C=O groups of QA in Rhodobacter sphaeroides R26 reaction centres monitored by Fourier transform infra-red spectroscopy using site-specific isotopically labelled ubiquinone-10Brudler, R., de Groot, H.J.M., van Liemt, W.B.S., Steggerda, W.F., Esmeijer, R., Gast, P., Hoff, A.J., Lugtenburg, J., Gerwert, K.EMBO Journal199413: 5523-5530https://doi.org/10.1002/j.1460-2075.1994.tb06889.xPDF
040How Catalizes Azide Proton-Pumping in D96N Mutated Bacteriorhodopsin?le Coutre, J., Gerwert, K.Time Resolved Vibrational Spectroscopy VI1994256-257PDF
039Time-resolved FTIR-Studies of H-Ras P21 GTPase ActivityGerwert, K., Cepus, V., Scheidig, A., Goody, R.S.Time Resolved Vibrational Spectroscopy VI1994185-187xPDF
038Molekulare Reaktionsmechanismen photosynthetischer MembranproteineGerwert, K.FUTURA 1199313-17xPDF
037Zeitaufgelöste FTIR-DifferenzspektroskopieGerwert, K., Souvignier, G.Nachrichten aus der Chemie, Technik und Laboratorium199341: 950-956PDF
036A Model-Independent Approach to Assigning Bacteriorhodopsin's Intramolecular Reactions to Photocycle IntermediatesHeßling, B., Souvignier, G., Gerwert, K.Biophysical Journal199365: 1929-1941https://doi.org/10.1016/S0006-3495(93)81264-5PDF
035Molecular reaction mechanism of proteins as monitored by time-resolved FTIR spectroscopyGerwert, K.Current Opinion Structural Biology19933: 769-773https://doi.org/10.1016/0959-440X(93)90062-PPDF
034Time-Resolved FTIR Studies on BacteriorhodopsinGerwert,K.Time Resolved Vibrational Spectroscopy V199261-64xPDF
033The azide-effect in D96 --> N/G mutated bacteriorhodopsins monitored by timeresolved FTIR-difference-spectroscopyle Coutre, J., Gerwert, K.Structures and Functions of Retinal Proteins1992127-130xPDF
032A new approach to analyse kinetic data of bacteriorhodopsin, factor analysis and decompositionHeßling, B., Souvignier, G., Gerwert, K.Structures and Functions of Retinal Proteins1992155-158xPDF
031The proton uptake reactions of Bacteriorhodopsin determined by time-resolved stroboscopic-FTIR-spectroscopySouvignier, G., Gerwert, K.Biophysical Journal199263: 1393-1405https://doi.org/10.1016/S0006-3495(92)81722-8PDF
030Molecular reaction mechanism of photosynthetic proteins as determined by FTIR-spectroscopyGerwert, K.BBA Bioenergetics19921101: 147-153PDF
029Time-resolved FTIR studies on proteinsGerwert, K., Souvignier, G.Proceedings SPIE 1575, 8th International Conference on Fourier Transform Spectroscopy1992431-432https://doi.org/10.1117/12.56473xPDF
028Electrostatic calculations of the pKa's of ionazable groups in BacteriorhodopsinBashford, D., Gerwert, K.Journal of Molecular Biology (JMB)1992224: 473-486https://doi.org/10.1016/0022-2836(92)91009-EPDF
027Light-induced charge separation in Rps. viridis reaction centers monitored by FTIR difference spectroscopy: the Quinone vibrationsBuchanan, S., Michel, H., Gerwert, K.Biochemistry199231: 1314-1322https://doi.org/10.1021/bi00120a006PDF
026FT-Raman Light-Induced Intermediate Spectra of Photobiological SystemsGerwert, K., Hoffmann, A., Schrader, B.Proceedings of the 13. International Conference on Raman Spectroscopy1992490-491xPDF
025Investigation of quinone reduction in Rps. viridis by FTIR difference spectroscopy and X-ray diffraction analysisBuchanan, S., Michel, H., Gerwert, K.Reaction Centers of Photosynthetic Bacteria199075-85xPDF
024Comparison of FTIR and FT Raman Spectra of Dark-Adapted and Light-Adapted BacteriorhodopsinGerwert, K., Hoffmann, A., Schrader, B.Proceedings of the 12. International Conference on Raman Spectroscopy1990852-853xPDF
023Time resolved FTIR difference spectroscopy applied to ultra thin layers of membrane proteins.Gerwert, K., Souvignier, G., Hess, B.SPIE, Proceedings of the 7. International Conference on FTIR Spectroscopy19901145: 130-131https://doi.org/10.1117/12.969390xPDF
022Simultaneous monitoring of light-induced changes in protein side-group protonation, chromophore, isomerization, and backbone motion of bacteriorhodopsin by time-resolved Fourier-transform infrared spectroscopyGerwert, K., Souvignier, G., Hess, B.Proceedings of the National Academy of Sciences (PNAS)199087: 9774-9778https://doi.org/10.1073/pnas.87.24.9774PDF
021FTIR studies of light induced intramolecular processes on crystals and reconstituted reaction centers from rhodopseudomonas viridisBuchanan, S., Michel, H., Gerwert, K.Current Research in Photosynthesis199069-72https://doi.org/10.1007/978-94-009-0511-5_11xPDF
020Proline residues undergo structural changes during proton pumping in bacteriorhodopsinGerwert, K., Hess, B., Engelhard, M.FEBS Letters1990261: 449-459https://doi.org/10.1016/0014-5793(90)80613-NPDF
019Role of aspartate-96 in proton translocation by bacteriorhodopsinGerwert, K., Hess, B., Soppa, J., Oesterhelt, D.Proceedings of the National Academy of Sciences (PNAS)198986: 4943-4947https://doi.org/10.1073/pnas.86.13.4943PDF
018Intramolekulare Proteindynamik - Untersuchungen mit Hilfe zeitaufgelöster Fourier-Transform-Infrarot-SpektroskopieGerwert, K.FUTURA19881/88, 31-36xPDF
017Light induced intramolecular processes of bacteriorhodopsin monitored by time resolved FTIR (Fourier transform infrared) spectroscopyGerwert, K., Hess, B.The Ion Pumps: Structure, Function, and Regulation1988321-326xPDF
016Initiation of light-induced proton transfers in bacteriorhodopsin monitored by FTIR difference spectroscopyGerwert, K., Hess, B.Biophysical Studies of Retinal Proteins. Proceedings of a Conference in Memory of Laura Eisenstein1988144-148xPDF
015FTIR studies on crystals of photosynthetic reaction centersGerwert, K., Hess, B., Michel, H., Buchanan, S.FEBS Letters1988232: 303-307https://doi.org/10.1016/0014-5793(88)80758-0PDF
014Investigation of Intramolecular Processes in Proteins by Time Resolved FTIR-Difference SpectroscopyGerwert, K., Hess, B.Mikrochimica Acta1988255-258https://doi.org/10.1007/BF00476634PDF
013Intramolekulare Proteindynamik untersucht mit zeitaufgelöster Fourier Transform Infrarot-DifferenzspektroskopieGerwert, K.Berichte der Bunsengesellschaft für Physikalische Chemie198892: 978-982https://doi.org/10.1002/bbpc.198800244xPDF
012Only water-exposed carboxyl groups are protonated during the transition to the cation-free blue bacteriorhodopsinGerwert, K., Ganter, U.M., Siebert, F., Hess, B.FEBS Letters1987213: 39-44https://doi.org/10.1016/0014-5793(87)81461-8PDF
011Intramolecular protontransfers in bacteriorhodopsin monitored by Fourier transform infrared difference spectroscopyGerwert, K., Hess, B.Interactions of Water in Ionic and Nonionic Hydrates1987183-186xPDF
010Investigation of the M to BR backreaction in bacteriorhodopsin by time resolved FTIR difference spectroscopyGerwert, K., Hess, B.Spectroscopy of Biological Molecules - New Advances1987261-263PDF
009FTIR spectroscopy on crystals of the photosynthetic reaction centers from Rhodopseudomonas viridis using an IR microscope.Gerwert, K., Buchanan, S., Hess, B., Michel, H.Spectroscopy of Biological Molecules - New Advances1987301-303xPDF
008Evidence for light-induced 13-cis, 14-s-cis, isomerization in bacteriorhodopsin obtained by FTIR difference spectroscopy using isotopically labelled retinalsGerwert, K., Siebert, F.EMBO Journal19865: 805-811https://doi.org/10.1002/j.1460-2075.1986.tb04285.xPDF
007Vibrational analysis of chromophore-configurations in bacteriorhodopsin during the photocycle using FTIR difference spectroscopyGerwert, K., Siebert, F., Pardoen, J.A., Winkel, C., Lugtenburg, J.Spectroscopy of Biological Molecules1985373-375xPDF
006Evidence from FTIR-measurements for a separation of the protonated Schiff base from the counterion into a less polar environment.Gerwert, K., Siebert, F., Pardoen, J.A., Winkel, C., Lugtenburg, J.Time-Resolved Vibrational Spectroscopy1985259-262xPDF
005Time-resolved infrared spectroscopy applied to photobiological systems. Gerwert, K., Rodriguez-Gonzales, R., Siebert, F.Time-Resolved Vibrational Spectroscopy1985259-262xPDF
004Light-driven protonation changes of internal aspartic acids of bacteriorhodopsin: An investigation by static and time-resolved infrared difference spectroscopy using aspartic acid labeled purple membrane Engelhard, M., Gerwert, K., Hess, B., Kreutz, W., Siebert. F.Biochemistry198524: 400-407https://doi.org/10.1021/bi00323a024PDF
003The role of carboxylic acid residues in the proton pump mechanism of bacteriorhodopsin (bR): Investigation by time resolved and static IR difference spectroscopy with [4-13C] labelled aspartic acid.Gerwert, K., Kreutz, W., Mäntele, W., Siebert, F., Engelhard, M., Hess, B.Photochemistry and Photobiology198439xPDF
002Fourier-transform infrared spectroscopy applied to rhodopsin. The problem of the protonation state of the retinylidene Schiff base reinvestigated Siebert, F., Mäntele, W., Gerwert, K.European Journal of Biochemistry1983136: 119-127https://doi.org/10.1111/j.1432-1033.1983.tb07714.xPDF
001Measurement of photoionisation cross sections for the and excited states of caesiumGerwert, K., Kollath, K.J.Journal of Physics B: Atomic and Molecular Physics198316: L217-L221https://doi.org/10.1088/0022-3700/16/8/002PDF