Steffen Wolf
Steffen Wolf
Privatdozent (Senior Scientist), Institute of Physics, University of Freiburg
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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
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
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
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
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
Multisecond ligand dissociation dynamics from atomistic simulations
S Wolf, B Lickert, S Bray, G Stock
Nature Communications 11, 2918, 2020
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
Real-time observation of ligand-induced allosteric transitions in a PDZ domain
O Bozovic, C Zanobini, A Gulzar, B Jankovic, D Buhrke, M Post, S Wolf, ...
Proceedings of the National Academy of Sciences 117 (42), 26031-26039, 2020
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
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
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), 2014
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
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
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
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
Principal component analysis of nonequilibrium molecular dynamics simulations
M Post, S Wolf, G Stock
The Journal of Chemical Physics 150 (20), 204110, 2019
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
Through Bonds or Contacts? Mapping Protein Vibrational Energy Transfer Using Non-canonical Amino Acids.
E Deniz, L Valiño-Borau, J Löffler, K Eberl, A Gulzar, S Wolf, P Durkin, ...
Nature Communications 12, 3284, 2021
A Numerical Procedure to Evaluate Memory Effects in Non-Equilibrium Coarse-Grained Models
H Meyer, S Wolf, G Stock, T Schilling
Advanced Theory and Simulations 111, 2000197, 2020
Hierarchical dynamics in allostery following ATP hydrolysis monitored by single molecule FRET measurements and MD simulations
S Wolf, B Sohmen, B Hellenkamp, J Thurn, G Stock, T Hugel
Chemical Science 12, 3350-3359, 2021
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