Modified replica exchange simulation methods for local structure refinement

Journal of Physical Chemistry B

Volumn 109, Issue 16, 2005, Pages 8220-8230

  Cheng, Xiaolin ^a   Cui, Guanglei ^a   Hornak, Viktor ^a   Simmerling, Carlos ^a  

^a STONY BROOK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

LIGAND DESIGN; LOCAL STRUCTURE REFINEMENT; PARALLEL TEMPERING; REPLICA EXCHANGE SIMULATION;

CARBOXYLATION; COMPUTER SIMULATION; DEGREES OF FREEDOM (MECHANICS); FUNCTIONS; MOLECULAR STRUCTURE; PERMITTIVITY; THERMODYNAMICS;

MOLECULAR DYNAMICS;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; COMPARATIVE STUDY; COMPUTER SIMULATION;

ALGORITHMS; COMPUTER SIMULATION; MODELS, MOLECULAR;

EID: 18544381108     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp045437y     Document Type: Article

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