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The 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 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 StockJournal of Chemical Theory and Computation|April 20, 2022
Molecular Origin of Driving-Dependent Friction in FluidsMatthias Post, Steffen Wolf, Gerhard StockJournal of Chemical Theory and Computation|November 3, 2020
MSMPathfinder: Identification of Pathways in Markov State ModelsDaniel Nagel, Anna Weber, Gerhard StockThe Journal of Physical Chemistry. B|July 16, 2021
Data-Driven Langevin Modeling of Nonequilibrium ProcessesBenjamin Lickert, Steffen Wolf, Gerhard StockThe Journal of Chemical Physics|July 10, 2014
Principal component analysis of molecular dynamics: on the use of Cartesian vs. internal coordinatesFlorian Sittel, Abhinav Jain, Gerhard StockPageof 11