Replica-exchange multicanonical and multicanonical replica-exchange Monte Carlo simulations of peptides. I. Formulation and benchmark test

Journal of Chemical Physics

Volumn 118, Issue 14, 2003, Pages 6664-6675

  Mitsutake, Ayori ^a   Sugita, Yugi ^b,c,d   Okamoto, Yuko ^b,c  

^a KEIO UNIVERSITY   (Japan)

^b INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^c GRADUATE UNIVERSITY FOR ADVANCED STUDIES   (Japan)

^d UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; FUNCTIONS; ITERATIVE METHODS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; POTENTIAL ENERGY; PROBABILITY DISTRIBUTIONS; RANDOM PROCESSES; STATISTICS;

MOLECULAR DYNAMICS SIMULATIONS; MULTICANONICAL REPLICA EXCHANGE METHOD; MULTICANONICAL WEIGHT FACTOR; PEPTIDES; REPLICA EXCHANGE MULTICANONICAL ALGORITHM;

AMINO ACIDS;

EID: 0037961507     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1555847     Document Type: Article

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