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Journal of Chemical Theory and Computation|November 3, 2020
MSMPathfinder: Identification of Pathways in Markov State ModelsDaniel Nagel, Anna Weber, 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 StockProteins|August 25, 2016
Mechanisms for allosteric activation of protease DegS by ligand binding and oligomerization as revealed from molecular dynamics simulationsCheng Lu, Gerhard Stock, Volker KnechtThe Journal of Physical Chemistry. B|January 18, 2018
Metadynamics Enhanced Markov Modeling of Protein DynamicsMithun Biswas, Benjamin Lickert, Gerhard StockThe Journal of Chemical Physics|September 22, 2025
Recovering hidden degrees of freedom using Gaussian processesGeorg Diez, Nele Dethloff, Gerhard StockThe Journal of Physical Chemistry. B|December 12, 2007
Molecular dynamics simulation of the structure, dynamics, and thermostability of the RNA hairpins uCACGg and cUUCGgAlessandra Villa, Elisabeth Widjajakusuma, Gerhard StockThe 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 SimulationsMiriam Jäger, Steffen WolfPlos One|April 17, 2015
Sequence, structure and ligand binding evolution of rhodopsin-like G protein-coupled receptors: a crystal structure-based phylogenetic analysisSteffen Wolf, Stefan GrünewaldThe Journal of Chemical Physics|February 3, 2020
Master equation model to predict energy transport pathways in proteinsLuis Valiño Borau, Adnan Gulzar, Gerhard StockThe Journal of Physical Chemistry. B|July 3, 2009
Energy flow and long-range correlations in guanine-binding riboswitch: a nonequilibrium molecular dynamics studyPhuong H Nguyen, Philippe Derreumaux, Gerhard StockPageof 15