Efficient nonbonded interactions for molecular dynamics on a graphics processing unit

Journal of Computational Chemistry

Volumn 31, Issue 6, 2010, Pages 1268-1272

  Peter, Eastman ^a   Pande, Vijay S ^b  

^a Stanford University   (United States)

^b STANFORD UNIVERSITY   (United States)

Author keywords

Cutoff; Explicit solvent; GPU; Graphics processing unit; Molecular dynamics; Nonbonded; Reaction field; Water

Indexed keywords

EXPLICIT SOLVENT; EXPLICIT SOLVENTS; GRAPHICS PROCESSING UNIT; HIGH-PERFORMANCE COMPUTER ARCHITECTURE; IMPLICIT SOLVENTS; MOLECULAR SIMULATIONS; NONBONDED INTERACTION; REACTION FIELDS; SYSTEM SIZE; WATER MOLECULE;

ATOMS; COMPUTATION THEORY; COMPUTER ARCHITECTURE; COMPUTER GRAPHICS EQUIPMENT; COMPUTER SIMULATION; LIPID BILAYERS; MOLECULAR DYNAMICS; PROGRAM PROCESSORS; PROTEINS; SOLVENTS;

REACTION KINETICS;

PROTEIN;

ALGORITHM; ARTICLE; CHEMISTRY; LIPID BILAYER; MOLECULAR DYNAMICS;

ALGORITHMS; LIPID BILAYERS; MOLECULAR DYNAMICS SIMULATION; PROTEINS;

EID: 77950551363     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21413     Document Type: Article

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