Efficient calculation of molecular configurational entropies using an information theoretic approximation

Journal of Physical Chemistry B

Volumn 116, Issue 9, 2012, Pages 2891-2904

  King, Bracken M ^a,b   Silver, Nathaniel W ^a,c   Tidor, Bruce ^a,b,d  

^a MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

^b Massachusetts Institute of Technology   (United States)

^c MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

^d Department of Electrical Engineering and Computer Science   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

INFORMATION THEORY;

ANHARMONICITIES; CONFIGURATIONAL ENTROPY; CONVERGENCE PROPERTIES; ENTROPY CHANGES; FREE ENERGY CHANGE; HIGH-ORDER; HIV-PROTEASE INHIBITORS; LOCAL MINIMUMS; MOLECULAR BINDING; MUTUAL INFORMATIONS; SMALL MOLECULES; SPANNING TREE;

ENTROPY;

EID: 84858068315     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp2068123     Document Type: Article

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