| Proton transfer via a transient linear water-molecule chain in a membrane protein E Freier, S Wolf, K Gerwert Proceedings of the National Academy of Sciences 108 (28), 11435-11439, 2011 | 151 | 2011 |
| The role of protein-bound water molecules in microbial rhodopsins K Gerwert, E Freier, S Wolf Biochimica et Biophysica Acta (BBA)-Bioenergetics 1837 (5), 606-613, 2014 | 103 | 2014 |
| In channelrhodopsin-2 Glu-90 is crucial for ion selectivity and is deprotonated during the photocycle K Eisenhauer, J Kuhne, E Ritter, A Berndt, S Wolf, E Freier, F Bartl, ... Journal of Biological Chemistry 287 (9), 6904-6911, 2012 | 92 | 2012 |
| Prediction of a Ligand‐Binding Niche within a Human Olfactory Receptor by Combining Site‐Directed Mutagenesis with Dynamic Homology Modeling L Gelis, S Wolf, H Hatt, EM Neuhaus, K Gerwert Angewandte Chemie International Edition 51 (5), 1274-1278, 2012 | 83 | 2012 |
| Structural basis of slow activation gating in the cardiac IKs channel complex N Strutz-Seebohm, M Pusch, S Wolf, R Stoll, D Tapken, K Gerwert, B Attali, ... Cellular Physiology and Biochemistry 27 (5), 443-452, 2011 | 71 | 2011 |
| Directional Proton Transfer in Membrane Proteins Achieved through Protonated Protein‐Bound Water Molecules: A Proton Diode S Wolf, E Freier, M Potschies, E Hofmann, K Gerwert Angewandte Chemie International Edition 49 (38), 6889-6893, 2010 | 55 | 2010 |
| Sequence, structure and ligand binding evolution of rhodopsin-like G protein-coupled receptors: a crystal structure-based phylogenetic analysis S Wolf, S Grünewald PloS one 10 (4), e0123533, 2015 | 40 | 2015 |
| Simulations of a G protein‐coupled receptor homology model predict dynamic features and a ligand binding site S Wolf, M Böckmann, U Höweler, J Schlitter, K Gerwert FEBS letters 582 (23-24), 3335-3342, 2008 | 40 | 2008 |
| Infrared spectral marker bands characterizing a transient water wire inside a hydrophobic membrane protein S Wolf, E Freier, Q Cui, K Gerwert The Journal of chemical physics 141 (22), 12B625_1, 2014 | 33 | 2014 |
| How does a membrane protein achieve a vectorial proton transfer via water molecules? S Wolf, E Freier, K Gerwert ChemPhysChem 9 (18), 2772-2778, 2008 | 32 | 2008 |
| Identification and validation of reaction coordinates describing protein functional motion: Hierarchical dynamics of T4 Lysozyme M Ernst, S Wolf, G Stock J. Chem. Theory Comput. 13 (10), 5076–5088, 2017 | 19 | 2017 |
| T box riboswitch antiterminator affinity modulated by tRNA structural elements JA Means, S Wolf, A Agyeman, JS Burton, CM Simson, JV Hines Chemical biology & drug design 69 (2), 139-145, 2007 | 17 | 2007 |
| A delocalized proton-binding site within a membrane protein S Wolf, E Freier, K Gerwert Biophysical journal 107 (1), 174-184, 2014 | 16 | 2014 |
| The structure of active opsin as a basis for identification of GPCR agonists by dynamic homology modelling and virtual screening assays M Schneider, S Wolf, J Schlitter, K Gerwert FEBS letters 585 (22), 3587-3592, 2011 | 15 | 2011 |
| Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations S Wolf, M Amaral, M Lowinski, F Vallée, D Musil, J Güldenhaupt, M Dreyer, ... J. Chem. Inf. Model. 59 (12), 5135-5147, 2019 | 14 | 2019 |
| Photocontrolling Protein-Peptide Interactions: From Minimal Perturbation to Complete Unbinding B Jankovic, A Gulzar, C Zanobini, O Bozovic, S Wolf, G Stock, P Hamm Journal of the American Chemical Society, 2019 | 13 | 2019 |
| 7TM domain structure of adhesion GPCRs S Nijmeijer, S Wolf, OP Ernst, C de Graaf Adhesion G Protein-coupled Receptors, 43-66, 2016 | 13 | 2016 |
| 2D-IR Spectroscopy of an AHA Labelled Photoswitchable PDZ2 Domain B Stucki-Buchli, PJM Johnson, O Bozovic, C Zanobini, KL Koziol, P Hamm, ... The Journal of Physical Chemistry A 121 (49), 9435–9445, 2017 | 12 | 2017 |
| Targeted Molecular Dynamics Calculations of Free Energy Profiles Using a Nonequilibrium Friction Correction S Wolf, G Stock Journal of chemical theory and computation 14 (12), 6175-6182, 2018 | 11 | 2018 |
| Multisecond ligand dissociation dynamics from atomistic simulations S Wolf, B Lickert, S Bray, G Stock Nature Communications 11, 2918, 2020 | 10 | 2020 |
Klaus GerwertProfessor of BiophysicsVerified email at bph.rub.de
