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Biophysical Journal|July 21, 2010
Scrutinizing molecular mechanics force fields on the submicrosecond timescale with NMR dataOliver F Lange, David van der Spoel, Bert L de GrootCommunications Chemistry|January 25, 2023
Accurate absolute free energies for ligand-protein binding based on non-equilibrium approachesVytautas Gapsys, Ahmet Yildirim, Matteo Aldeghi, et al.Journal of Computational Chemistry|April 4, 2007
Speeding up parallel GROMACS on high-latency networksCarsten Kutzner, David van der Spoel, Martin Fechner, et al.Current Opinion in Structural Biology|September 27, 2020
Systematic design of biomolecular force fieldsDavid van der SpoelFEBS Letters|February 8, 2006
Blind docking of drug-sized compounds to proteins with up to a thousand residuesCsaba Hetényi, David van der SpoelThe Journal of Physical Chemistry. B|August 8, 2018
Impact of Dispersion Coefficient on Simulations of Proteins and Organic LiquidsZahedeh Bashardanesh, David van der SpoelProtein Science : a Publication of the Protein Society|March 18, 2011
Toward prediction of functional protein pockets using blind docking and pocket search algorithmsCsaba Hetényi, David van der SpoelEcotoxicology (London, England)|August 31, 2015
Impact of sludge deposition on biodiversitySergio Manzetti, David van der SpoelPhysical Chemistry Chemical Physics : PCCP|August 9, 2008
A temperature predictor for parallel tempering simulationsAlexandra Patriksson, David van der SpoelProtein Science : a Publication of the Protein Society|June 19, 2002
Efficient docking of peptides to proteins without prior knowledge of the binding siteCsaba Hetényi, David van der SpoelPageof 34