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Journal of Chemical Information and Modeling|April 13, 2018
Force Field Benchmark of Amino Acids: I. Hydration and Diffusion in Different Water ModelsHaiyang Zhang, Chunhua Yin, Yang Jiang, et al.Bioinformatics (Oxford, England)|January 13, 2012
GROMACS molecule & liquid databaseDavid van der Spoel, Paul J van Maaren, Carl CalemanPlos Computational Biology|May 17, 2012
Virus capsid dissolution studied by microsecond molecular dynamics simulationsDaniel S D Larsson, Lars Liljas, David van der SpoelBiophysical 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 GrootJournal of Chemical Information and Modeling|July 11, 2020
Toward a Computational Ecotoxicity AssayNatasha Kamerlin, Mickaël G Delcey, Sergio Manzetti, et al.Physical Chemistry Chemical Physics : PCCP|October 31, 2008
Structural studies of melting on the picosecond time scaleDavid van der Spoel, Filipe R N C Maia, Carl CalemanJournal of Molecular Modeling|March 4, 2011
Probing ¹³C chemical shielding tensors in cryptolepine and two bromo-substituted analogs for antiplasmodial activityHadi Behzadi, Mohamad Reza Talei Bavil Olyai, David van der SpoelScientific Data|April 11, 2018
The Alexandria library, a quantum-chemical database of molecular properties for force field developmentMohammad M Ghahremanpour, Paul J van Maaren, David van der SpoelLangmuir : the ACS Journal of Surfaces and Colloids|June 14, 2006
Lifting a wet glass from a table: a microscopic pictureDavid van der Spoel, Erik J W Wensink, Alex C HoffmannJournal of Molecular Biology|October 21, 2005
Reproducible polypeptide folding and structure prediction using molecular dynamics simulationsM Marvin Seibert, Alexandra Patriksson, Berk Hess, et al.Pageof 12