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The Journal of Physical Chemistry. B|February 7, 2008
Pulling direction as a reaction coordinate for the mechanical unfolding of single moleculesRobert B Best, Emanuele Paci, Gerhard Hummer, et al.The Journal of Chemical Physics|November 8, 2022
TriMem: A parallelized hybrid Monte Carlo software for efficient simulations of lipid membranesMarc Siggel, Sebastian Kehl, Klaus Reuter, et al.Biochimica Et Biophysica Acta|April 22, 2008
Prevention of leak in the proton pump of cytochrome c oxidaseVille R I Kaila, Michael Verkhovsky, Gerhard Hummer, et al.Journal of Chemical Theory and Computation|May 10, 2017
Position-Dependent Diffusion Tensors in Anisotropic Media from Simulation: Oxygen Transport in and through MembranesAn Ghysels, Richard M Venable, Richard W Pastor, et al.The Journal of Chemical Physics|October 24, 2019
Molecular free energy profiles from force spectroscopy experiments by inversion of observed committorsRoberto Covino, Michael T Woodside, Gerhard Hummer, et al.The Journal of Chemical Physics|December 1, 2022
Complexes++: Efficient and versatile coarse-grained simulations of protein complexes and their dense solutionsMax Linke, Patrick K Quoika, Berenger Bramas, et al.Journal of Chemical Theory and Computation|August 13, 2019
Fragment Binding Pose Predictions Using Unbiased Simulations and Markov-State ModelsStephanie Maria Linker, Aniket Magarkar, Jürgen Köfinger, et al.The Journal of Chemical Physics|September 22, 2014
Diffusion maps, clustering and fuzzy Markov modeling in peptide folding transitionsLilia V Nedialkova, Miguel A Amat, Ioannis G Kevrekidis, et al.Biochimica Et Biophysica Acta|May 2, 2009
Mechanism and energetics by which glutamic acid 242 prevents leaks in cytochrome c oxidaseVille R I Kaila, Michael I Verkhovsky, Gerhard Hummer, et al.Nature Communications|February 24, 2022
Evidence for a trap-and-flip mechanism in a proton-dependent lipid transporterElisabeth Lambert, Ahmad Reza Mehdipour, Alexander Schmidt, et al.Pageof 32