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Proceedings of the National Academy of Sciences of the United States of America|October 17, 2013
Native contacts determine protein folding mechanisms in atomistic simulationsRobert B Best, Gerhard Hummer, William A EatonThe Journal of Chemical Physics|July 17, 2020
Optimal estimates of self-diffusion coefficients from molecular dynamics simulationsJakob Tómas Bullerjahn, Sören von Bülow, Gerhard HummerJournal of the American Chemical Society|May 5, 2011
Catalytic mechanism of RNA backbone cleavage by ribonuclease H from quantum mechanics/molecular mechanics simulationsEdina Rosta, Marcin Nowotny, Wei Yang, et al.Physical Review Letters|April 7, 2010
Biological proton pumping in an oscillating electric fieldYoung C Kim, Leon A Furchtgott, Gerhard HummerJournal of Chemical Theory and Computation|December 7, 2019
Hierarchical Ensembles of Intrinsically Disordered Proteins at Atomic Resolution in Molecular Dynamics SimulationsLisa M Pietrek, Lukas S Stelzl, Gerhard HummerJournal of Chemical Theory and Computation|February 16, 2024
Hierarchical Assembly of Single-Stranded RNALisa M Pietrek, Lukas S Stelzl, Gerhard HummerProceedings of the National Academy of Sciences of the United States of America|December 2, 2004
Water clusters in nonpolar cavitiesSubramanian Vaitheeswaran, Hao Yin, Jayendran C Rasaiah, et al.Journal of Chemical Theory and Computation|October 24, 2017
Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased SimulationsLukas S Stelzl, Adam Kells, Edina Rosta, et al.The Journal of Physical Chemistry Letters|September 14, 2018
Precision DEER Distances from Spin-Label Ensemble RefinementKatrin Reichel, Lukas S Stelzl, Jürgen Köfinger, et al.Plos Computational Biology|October 25, 2012
Membrane-elasticity model of Coatless vesicle budding induced by ESCRT complexesBartosz Różycki, Evzen Boura, James H Hurley, et al.Pageof 32