On the use of local diffusion models for path ensemble averaging in potential of mean force computations

Journal of Chemical Physics

Volumn 126, Issue 8, 2007, Pages

  Calderon, Christopher P ^a  

^a Rice University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

JARZYNSKI EQUALITY; LOCAL DIFFUSION MODELS; MEAN FORCE COMPUTATIONS; SURROGATE PROCESSES APPROXIMATION (SPA);

APPROXIMATION ALGORITHMS; COMPUTATIONAL METHODS; COMPUTER SIMULATION; DIFFUSION;

MOLECULAR DYNAMICS;

ALANINE;

ARTICLE; CHEMISTRY; COMPUTER SIMULATION; DIFFUSION; ELASTICITY; THEORETICAL MODEL;

ALANINE; COMPUTER SIMULATION; DIFFUSION; ELASTICITY; MODELS, THEORETICAL;

EID: 33847633819     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2567098     Document Type: Article

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