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Biorxiv : the Preprint Server for Biology|March 10, 2025
Prospective evaluation of structure-based simulations reveal their ability to predict the impact of kinase mutations on inhibitor bindingSukrit Singh, Vytautas Gapsys, Matteo Aldeghi, et al.Plos Computational Biology|May 14, 2010
Spontaneous quaternary and tertiary T-R transitions of human hemoglobin in molecular dynamics simulationJochen S Hub, Marcus B Kubitzki, Bert L de GrootJournal of Molecular Biology|October 8, 2003
The mechanism of proton exclusion in the aquaporin-1 water channelBert L de Groot, Tomaso Frigato, Volkhard Helms, et al.Journal of Chemical Theory and Computation|December 2, 2018
Interpretation of Interfacial Protein Spectra with Enhanced Molecular Simulation EnsemblesHelmut Lutz, Vance Jaeger, Tobias Weidner, et al.Biophysical Journal|August 17, 2011
Computational electrophysiology: the molecular dynamics of ion channel permeation and selectivity in atomistic detailCarsten Kutzner, Helmut Grubmüller, Bert L de Groot, et al.Physical Chemistry Chemical Physics : PCCP|July 8, 2010
Dynamics and energetics of solute permeation through the Plasmodium falciparum aquaglyceroporinCamilo Aponte-Santamaría, Jochen S Hub, Bert L de GrootBiophysical Journal|April 24, 2019
Lipid Bilayer Composition Influences the Activity of the Antimicrobial Peptide Dermcidin ChannelChen Song, Bert L de Groot, Mark S P SansomStructure (London, England : 1993)|October 10, 2006
Ligand-release pathways in the pheromone-binding protein of Bombyx moriFrauke Gräter, Bert L de Groot, Hualiang Jiang, et al.Proteins|December 18, 2008
Domain motions of hyaluronan lyase underlying processive hyaluronan translocationHarshad V Joshi, Mark J Jedrzejas, Bert L de GrootJournal of Molecular Biology|April 23, 2021
The Persistent Question of Potassium Channel Permeation MechanismsAndrei Mironenko, Ulrich Zachariae, Bert L de Groot, et al.Pageof 21