"Mining minima": Direct computation of conformational free energy

Journal of Physical Chemistry A

Volumn 101, Issue 8, 1997, Pages 1609-1618

  Head, Martha S ^a   Given, James A ^a   Gilson, Michael K ^a  

^a NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; ELECTRONIC DENSITY OF STATES; FREE ENERGY; GENETIC ALGORITHMS; MOLECULAR STRUCTURE; MONTE CARLO METHODS; NUMERICAL METHODS; SAMPLING;

CONFORMATIONAL FREE ENERGY; ENERGY MINIMA; GLOBAL UNDERESTIMATOR METHOD; METROPOLIS MONTE CARLO SAMPLING; MINING MINIMA ALGORITHMS;

CONFORMATIONS;

EID: 0031079364     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp963817g     Document Type: Article

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