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Human Mutation|March 15, 2019
Pyruvate carboxylase deficiency type A and type C: Characterization of five novel pathogenic variants in PC and analysis of the genotype-phenotype correlationEmanuele G Coci, Vytautas Gapsys, Natasha Shur, et al.Methods (San Diego, Calif.)|April 16, 2018
Utilizing dipole-dipole cross-correlated relaxation for the measurement of angles between pairs of opposing CαHα-CαHα bonds in anti-parallel β-sheetsT Michael Sabo, Vytautas Gapsys, Korvin F A Walter, et al.Wiley Interdisciplinary Reviews. Computational Molecular Science|August 8, 2022
Pre-exascale HPC approaches for molecular dynamics simulations. Covid-19 research: A use caseMiłosz Wieczór, Vito Genna, Juan Aranda, et al.Journal of Computer-Aided Molecular Design|April 20, 2010
Ligand docking and binding site analysis with PyMOL and Autodock/VinaDaniel Seeliger, Bert L de GrootBiophysical Journal|May 21, 2010
Protein thermostability calculations using alchemical free energy simulationsDaniel Seeliger, Bert L de GrootMethods in Molecular Biology (Clifton, N.J.)|May 1, 2008
Normal modes and essential dynamicsSteven Hayward, Bert L de GrootEuropean Biophysics Journal : EBJ|December 23, 2020
Lipid-protein forces predict conformational changes in a mechanosensitive channelCsaba Daday, Bert L de GrootCurrent Opinion in Structural Biology|April 20, 2005
The dynamics and energetics of water permeation and proton exclusion in aquaporinsBert L de Groot, Helmut GrubmüllerPlos Computational Biology|January 13, 2010
Conformational transitions upon ligand binding: holo-structure prediction from apo conformationsDaniel Seeliger, Bert L de GrootBiophysical Journal|July 22, 2009
Secondary structure propensities in peptide folding simulations: a systematic comparison of molecular mechanics interaction schemesDirk Matthes, Bert L de GrootPageof 21