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Journal of Chemical Information and Modeling
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May 3, 2023
Predicting Protein-Ligand Binding and Unbinding Kinetics with Biased MD Simulations and Coarse-Graining of Dynamics: Current State and Challenges
Steffen Wolf
The Journal of Physical Chemistry. B
|
October 8, 2025
More Sophisticated Is Not Always Better: A Comparison of Similarity Measures for Unsupervised Learning of Pathways in Biomolecular Simulations
Miriam Jäger, Steffen Wolf
Journal of Chemical Theory and Computation
|
November 9, 2018
Targeted Molecular Dynamics Calculations of Free Energy Profiles Using a Nonequilibrium Friction Correction
Steffen Wolf, Gerhard Stock
Plos One
|
April 17, 2015
Sequence, structure and ligand binding evolution of rhodopsin-like G protein-coupled receptors: a crystal structure-based phylogenetic analysis
Steffen Wolf, Stefan Grünewald
The Journal of Chemical Physics
|
June 3, 2019
Principal component analysis of nonequilibrium molecular dynamics simulations
Matthias Post, Steffen Wolf, Gerhard Stock
Journal of Chemical Information and Modeling
|
September 30, 2022
Ligand Unbinding Pathway and Mechanism Analysis Assisted by Machine Learning and Graph Methods
Simon Bray, Victor Tänzel, Steffen Wolf
Journal of Chemical Theory and Computation
|
September 16, 2017
Identification and Validation of Reaction Coordinates Describing Protein Functional Motion: Hierarchical Dynamics of T4 Lysozyme
Matthias Ernst, Steffen Wolf, Gerhard Stock
Proceedings of the National Academy of Sciences of the United States of America
|
June 29, 2011
Proton transfer via a transient linear water-molecule chain in a membrane protein
Erik Freier, Steffen Wolf, Klaus Gerwert
Journal of Chemical Theory and Computation
|
April 20, 2022
Molecular Origin of Driving-Dependent Friction in Fluids
Matthias Post, Steffen Wolf, Gerhard Stock
Biochimica Et Biophysica Acta
|
September 24, 2013
The role of protein-bound water molecules in microbial rhodopsins
Klaus Gerwert, Erik Freier, Steffen Wolf
Page
of 7
Search research articles
Search
Showing results (1-10 of 69) with videos related to
Sort By:
Page
of 7
Journal of Chemical Information and Modeling
|
May 3, 2023
Predicting Protein-Ligand Binding and Unbinding Kinetics with Biased MD Simulations and Coarse-Graining of Dynamics: Current State and Challenges
Steffen Wolf
The Journal of Physical Chemistry. B
|
October 8, 2025
More Sophisticated Is Not Always Better: A Comparison of Similarity Measures for Unsupervised Learning of Pathways in Biomolecular Simulations
Miriam Jäger, Steffen Wolf
Journal of Chemical Theory and Computation
|
November 9, 2018
Targeted Molecular Dynamics Calculations of Free Energy Profiles Using a Nonequilibrium Friction Correction
Steffen Wolf, Gerhard Stock
Plos One
|
April 17, 2015
Sequence, structure and ligand binding evolution of rhodopsin-like G protein-coupled receptors: a crystal structure-based phylogenetic analysis
Steffen Wolf, Stefan Grünewald
The Journal of Chemical Physics
|
June 3, 2019
Principal component analysis of nonequilibrium molecular dynamics simulations
Matthias Post, Steffen Wolf, Gerhard Stock
Journal of Chemical Information and Modeling
|
September 30, 2022
Ligand Unbinding Pathway and Mechanism Analysis Assisted by Machine Learning and Graph Methods
Simon Bray, Victor Tänzel, Steffen Wolf
Journal of Chemical Theory and Computation
|
September 16, 2017
Identification and Validation of Reaction Coordinates Describing Protein Functional Motion: Hierarchical Dynamics of T4 Lysozyme
Matthias Ernst, Steffen Wolf, Gerhard Stock
Proceedings of the National Academy of Sciences of the United States of America
|
June 29, 2011
Proton transfer via a transient linear water-molecule chain in a membrane protein
Erik Freier, Steffen Wolf, Klaus Gerwert
Journal of Chemical Theory and Computation
|
April 20, 2022
Molecular Origin of Driving-Dependent Friction in Fluids
Matthias Post, Steffen Wolf, Gerhard Stock
Biochimica Et Biophysica Acta
|
September 24, 2013
The role of protein-bound water molecules in microbial rhodopsins
Klaus Gerwert, Erik Freier, Steffen Wolf
Page
of 7