Sampling conformations in high dimensions using low-dimensional distribution functions

Journal of Chemical Physics

Volumn 130, Issue 13, 2009, Pages

  Somani, Sandeep ^a   Killian, Benjamin J ^a   Gilson, Michael K ^a  

^a UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

A THERMALS; CONFORMATIONAL FLUCTUATIONS; CONFORMATIONAL PROBABILITIES; HIGH DIMENSIONS; INTERNAL DEGREES OF FREEDOMS; MOLECULAR-DYNAMICS SIMULATIONS; RECURSIVE APPLICATIONS; SAMPLING ALGORITHMS; SMALL MOLECULE SYSTEMS; SUPERPOSITION APPROXIMATIONS;

DISTRIBUTION FUNCTIONS; DYNAMICS; LEARNING ALGORITHMS; MOLECULAR DYNAMICS; MOLECULES; PROBABILITY DENSITY FUNCTION;

CONFORMATIONS;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; COMPUTER SIMULATION; CONFORMATION; STATISTICAL MODEL; THEORETICAL MODEL; THERMODYNAMICS;

ALGORITHMS; COMPUTER SIMULATION; MODELS, MOLECULAR; MODELS, STATISTICAL; MODELS, THEORETICAL; MOLECULAR CONFORMATION; THERMODYNAMICS;

EID: 64549160226     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3088434     Document Type: Article

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