Accelerating the replica exchange method through an efficient all-pairs exchange

Journal of Chemical Physics

Volumn 126, Issue 7, 2007, Pages

  Brenner, Paul ^a   Sweet, Christopher R ^a   Vonhandorf, Dustin ^a   Izaguirre, Jesús A ^a  

^a UNIVERSITY OF NOTRE DAME   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; COMPUTATION THEORY; INTERFACIAL ENERGY; REACTION KINETICS; SAMPLING; SOFTWARE ENGINEERING;

ERGODIC MEASURES; EXCHANGE EFFICIENCY; PIN1 WW DOMAIN SYSTEMS; REPLICA EXCHANGE METHODS;

CONFORMATIONS;

DIPEPTIDE; NIMA INTERACTING PEPTIDYLPROLYL ISOMERASE; NIMA-INTERACTING PEPTIDYLPROLYL ISOMERASE; PEPTIDYLPROLYL ISOMERASE; PROTEIN; UNCLASSIFIED DRUG;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; PROTEIN CONFORMATION; PROTEIN TERTIARY STRUCTURE;

ALGORITHMS; COMPUTER SIMULATION; DIPEPTIDES; MODELS, CHEMICAL; MODELS, MOLECULAR; PEPTIDYLPROLYL ISOMERASE; PROTEIN CONFORMATION; PROTEIN STRUCTURE, TERTIARY; PROTEINS;

EID: 33847192478     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2436872     Document Type: Article

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