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The Journal of Chemical Physics|September 22, 2025
Recovering hidden degrees of freedom using Gaussian processesGeorg Diez, Nele Dethloff, 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 StockThe Journal of Physical Chemistry Letters|April 2, 2026
Lost in Projection? Gaussian Filtering Recovers Hidden Conformational StatesSofia Sartore, Daniel Nagel, Georg Diez, et al.Journal of Molecular Biology|June 11, 2022
Cooperative Protein Allosteric Transition Mediated by a Fluctuating Transmission NetworkMatthias Post, Benjamin Lickert, Georg Diez, et al.Physical Review Letters|April 28, 2009
Classical simulation of quantum energy flow in biomoleculesGerhard StockJournal of Chemical Theory and Computation|April 9, 2016
Robust Density-Based Clustering To Identify Metastable Conformational States of ProteinsFlorian Sittel, Gerhard StockThe Journal of Chemical Physics|December 3, 2008
Dynamic treatment of vibrational energy relaxation in a heterogeneous and fluctuating environmentHiroshi Fujisaki, Gerhard StockThe Journal of Chemical Physics|July 24, 2010
Maximum caliber inference of nonequilibrium processesMoritz Otten, Gerhard StockJournal of Chemical Theory and Computation|November 9, 2018
Targeted Molecular Dynamics Calculations of Free Energy Profiles Using a Nonequilibrium Friction CorrectionSteffen Wolf, Gerhard StockPageof 11