Improved conformational sampling through an efficient combination of mean-field simulation approaches

Journal of Physical Chemistry B

Volumn 108, Issue 1, 2004, Pages 426-437

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

^a STONY BROOK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; APPROXIMATION THEORY; COMPUTATIONAL METHODS; COMPUTER SIMULATION; MOLECULAR DYNAMICS; RATE CONSTANTS; SOLVENTS;

GENERALIZED BORN CONTINUUM SOLVATION; LOCALLY ENHANCED SAMPLING; SINGLE COPY METHOD;

CONFORMATIONS;

EID: 1642419747     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp034505y     Document Type: Article

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