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Volumn 180, Issue 3, 2009, Pages 455-458
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g_permute: Permutation-reduced phase space density compaction
a
b
d,e
c,e
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Author keywords
All atom (fully atomistic) molecular dynamics simulations; Compacted configuration space density; GROMACS; Permutation reduction; Solvent entropy
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Indexed keywords
COMBINATORIAL MATHEMATICS;
COMPUTER OPERATING SYSTEMS;
COMPUTER PROGRAMMING;
ENTROPY;
MOLECULAR DYNAMICS;
MOLECULES;
PHASE SPACE METHODS;
POWDERS;
PROBLEM ORIENTED LANGUAGES;
PROTEINS;
QUERY LANGUAGES;
SOLVENTS;
TEST FACILITIES;
TRAJECTORIES;
TRAVELING SALESMAN PROBLEM;
WAVE FUNCTIONS;
ALL-ATOM (FULLY ATOMISTIC) MOLECULAR DYNAMICS SIMULATIONS;
BIOMOLECULAR PROCESS;
CATALOGUE IDENTIFIERS;
COMBINATORIAL EXPLOSIONS;
COMPACTED CONFIGURATION SPACE DENSITY;
DIFFUSIVE MOTIONS;
DISTRIBUTED PROGRAMS;
ENTROPY ESTIMATIONS;
FREE ENERGY CHANGES;
GROMACS;
IRELAND;
LINEAR ASSIGNMENT PROBLEMS;
MEMBRANE BILAYERS;
MOLECULAR DYNAMICS TRAJECTORIES;
MULTI MODELS;
OPERATING SYSTEMS;
PERMUTATION REDUCTION;
PERMUTATION SYMMETRIES;
PHASE SPACE DENSITIES;
PROGRAMMING LANGUAGES;
PROTEIN DATA BANKS;
RUNNING TIME;
SIMULATION PACKAGES;
SOFTWARE IMPLEMENTATIONS;
SOLUTION METHODS;
SOLVATION SHELLS;
SOLVENT MOLECULES;
TEST DATUM;
TOTAL ENTROPIES;
TRAJECTORY LENGTHS;
DYNAMICS;
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EID: 60649114666
PISSN: 00104655
EISSN: None
Source Type: Journal
DOI: 10.1016/j.cpc.2008.10.018 Document Type: Article |
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Times cited : (17)
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References (8)
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