Optimization of replica exchange molecular dynamics by fast mimicking

Journal of Chemical Physics

Volumn 127, Issue 20, 2007, Pages

  Hritz, Jozef ^a   Oostenbrink, Chris ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; HAMILTONIANS; OPTIMIZATION; SPEED CONTROL; SWITCHING;

HAMILTONIAN-REMD SETTINGS; MIMICKING; REPLICA EXCHANGE MOLECULAR DYNAMICS SIMULATIONS (REMD); STABLE CONFORMATION;

MOLECULAR DYNAMICS;

DRUG DERIVATIVE; GUANOSINE TRIPHOSPHATE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; QUANTUM THEORY; TEMPERATURE; TIME;

COMPUTER SIMULATION; GUANOSINE TRIPHOSPHATE; MODELS, CHEMICAL; MOLECULAR CONFORMATION; QUANTUM THEORY; TEMPERATURE; TIME FACTORS;

EID: 36649006864     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2790427     Document Type: Article

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