On the calculation of absolute free energies from molecular-dynamics or Monte Carlo data

Journal of Chemical Physics

Volumn 124, Issue 6, 2006, Pages

  Huang, Lei ^a   Makarov, Dmitrii E ^a  

^a UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BOLTZMANN AVERAGE; CLUSTERING ALGORITHM;

ALGORITHMS; COMPUTER SIMULATION; ENTROPY; FREE ENERGY; MONTE CARLO METHODS; STATISTICS;

MOLECULAR DYNAMICS;

ALGORITHM; ARTICLE; CLUSTER ANALYSIS; COMPUTER SIMULATION; CONFORMATION; ENERGY TRANSFER; ENTROPY; MONTE CARLO METHOD;

ALGORITHMS; CLUSTER ANALYSIS; COMPUTER SIMULATION; ENERGY TRANSFER; ENTROPY; MOLECULAR CONFORMATION; MONTE CARLO METHOD;

EID: 36049018890     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2166397     Document Type: Article

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