Optimal allocation of replicas in parallel tempering simulations

Journal of Chemical Physics

Volumn 122, Issue 2, 2005, Pages

  Rathore, Nitin ^a   Chopra, Manan ^a   De Pablo, Juan J ^a  

^a Wisconsin Electric Machines and Power Electronics Consortium   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; POLYPEPTIDES; PROTEINS; SPECIFIC HEAT; THERMAL EFFECTS; THERMODYNAMICS;

ATOMISTIC MODELS; COARSE GRAINED; LENNARD-JONES FLUID; TEMPERING SIMULATIONS;

COMPUTER SIMULATION;

BACTERIAL PROTEIN; IGG FC BINDING PROTEIN, STREPTOCOCCUS; IGG FC-BINDING PROTEIN, STREPTOCOCCUS; PEPTIDE; POLYALANINE; STAPHYLOCOCCUS PROTEIN A;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; PROTEIN TERTIARY STRUCTURE; TEMPERATURE;

BACTERIAL PROTEINS; COMPUTER SIMULATION; MODELS, MOLECULAR; PEPTIDES; PROTEIN STRUCTURE, TERTIARY; STAPHYLOCOCCAL PROTEIN A; TEMPERATURE;

EID: 22944453404     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1831273     Document Type: Article

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