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The Journal of Chemical Physics|June 3, 2019
Principal component analysis of nonequilibrium molecular dynamics simulationsMatthias Post, Steffen Wolf, Gerhard StockJournal of Chemical Theory and Computation|May 11, 2023
Selecting Features for Markov Modeling: A Case Study on HP35Daniel Nagel, Sofia Sartore, Gerhard StockThe Journal of Chemical Physics|January 1, 2018
Principal component analysis on a torus: Theory and application to protein dynamicsFlorian Sittel, Thomas Filk, Gerhard StockJournal of Chemical Theory and Computation|November 19, 2015
Hierarchical Biomolecular Dynamics: Picosecond Hydrogen Bonding Regulates Microsecond Conformational TransitionsSebastian Buchenberg, Norbert Schaudinnus, Gerhard StockJournal of Chemical Theory and Computation|December 20, 2015
Long-Range Conformational Response of a PDZ Domain to Ligand Binding and Release: A Molecular Dynamics StudyCheng Lu, Volker Knecht, Gerhard StockProceedings of the National Academy of Sciences of the United States of America|August 2, 2017
Time-resolved observation of protein allosteric communicationSebastian Buchenberg, Florian Sittel, Gerhard StockJournal of Chemical Theory and Computation|September 16, 2017
Identification and Validation of Reaction Coordinates Describing Protein Functional Motion: Hierarchical Dynamics of T4 LysozymeMatthias Ernst, Steffen Wolf, Gerhard StockJournal of Chemical Theory and Computation|July 6, 2022
Correlation-Based Feature Selection to Identify Functional Dynamics in ProteinsGeorg Diez, Daniel Nagel, Gerhard StockThe Journal of Chemical Physics|August 2, 2024
Accurate estimation of the normalized mutual information of multidimensional dataDaniel Nagel, Georg Diez, Gerhard StockNucleic Acids Research|June 12, 2009
Molecular dynamics simulation study of the binding of purine bases to the aptamer domain of the guanine sensing riboswitchAlessandra Villa, Jens Wöhnert, Gerhard StockPageof 26