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Journal of Computational Chemistry

Volumn 26, Issue 16, 2005, Pages 1701-1718

  Van Der Spoel, David ^a   Lindahl, Erik ^b   Hess, Berk ^c   Groenhof, Gerrit ^d   Mark, Alan E ^d   Berendsen, Herman J C ^d  

^a UPPSALA UNIVERSITY   (Sweden)

^b STOCKHOLM UNIVERSITY   (Sweden)

^c MAX PLANCK INSTITUTE FOR POLYMER RESEARCH   (Germany)

^d UNIVERSITY OF GRONINGEN   (Netherlands)

Author keywords

Free energy computation; GROMACS; Molecular dynamics; Molecular simulation software; Parallel computation

Indexed keywords

COMPUTER HARDWARE; FORCE CONTROL; MOLECULAR DYNAMICS; OPTIMIZATION; POLARIZATION; PROGRAM PROCESSORS;

FREE ENERGY COMPUTATION; MOLECULAR SIMULATION SOFTWARE; PARALLEL COMPUTATION;

COMPUTER SOFTWARE;

MEMBRANE PROTEIN;

ALGORITHM; CELL MEMBRANE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; COMPUTER SIMULATION; PROTEIN FOLDING; REVIEW; STATISTICS; THERMODYNAMICS;

ALGORITHMS; CELL MEMBRANE; COMPUTER SIMULATION; MEMBRANE PROTEINS; MODELS, CHEMICAL; MOLECULAR STRUCTURE; PROTEIN FOLDING; SOFTWARE; STOCHASTIC PROCESSES; THERMODYNAMICS;

EID: 27344454932     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20291     Document Type: Review

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