Convergence and sampling efficiency in replica exchange simulations of peptide folding in explicit solvent

Journal of Chemical Physics

Volumn 126, Issue 1, 2007, Pages

  Periole, Xavier ^a   Mark, Alan E ^a,b  

^a UNIVERSITY OF GRONINGEN   (Netherlands)

^b UNIVERSITY OF QUEENSLAND   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; MATHEMATICAL MODELS; MOLECULAR BIOLOGY; MOLECULAR DYNAMICS; SOLVENTS; THERMAL EFFECTS;

BIOMOLECULAR SYSTEMS; EXPLICIT SOLVENTS; REPLICA EXCHANGE METHODS (REM);

PROTEINS;

PEPTIDE; SOLVENT;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; PROTEIN CONFORMATION; PROTEIN FOLDING; SAMPLE SIZE; SIGNAL PROCESSING; TEMPERATURE;

COMPUTER SIMULATION; MODELS, CHEMICAL; MODELS, MOLECULAR; PEPTIDES; PROTEIN CONFORMATION; PROTEIN FOLDING; SAMPLE SIZE; SIGNAL PROCESSING, COMPUTER-ASSISTED; SOLVENTS; TEMPERATURE;

EID: 33846106377     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2404954     Document Type: Article

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