Appropriate methods to combine forward and reverse free-energy perturbation averages

Journal of Chemical Physics

Volumn 118, Issue 7, 2003, Pages 2977-2984

  Lu, Nandou ^a,b   Singh, Jayant K ^a   Kofke, David A ^a  

^a State University of New York ^*  (United States)

^b JOHNS HOPKINS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; ERROR ANALYSIS; FUNCTIONS; OPTIMIZATION; PERTURBATION TECHNIQUES; WATER;

REVERSE FREE-ENERGY;

FREE ENERGY;

EID: 0037440856     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1537241     Document Type: Article

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