Forging the missing link in free energy estimations: λ-WHAM in thermodynamic integration, overlap histogramming, and free energy perturbation

Chemical Physics Letters

Volumn 440, Issue 1-3, 2007, Pages 155-159

  Li, Hongzhi ^a   Yang, Wei ^a  

^a FLORIDA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CONVERGENCE OF NUMERICAL METHODS; MAXIMUM LIKELIHOOD; PARAMETER ESTIMATION; PERTURBATION TECHNIQUES;

ENERGY DERIVATIVE HISTOGRAMS; OVERLAP HISTOGRAMMING; THERMODYNAMIC INTEGRATION;

FREE ENERGY;

EID: 34247877842     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.04.009     Document Type: Article

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