Assessing the efficiency of free energy calculation methods

Journal of Chemical Physics

Volumn 120, Issue 8, 2004, Pages 3563-3578

  Rodriguez Gomez, David ^a,b   Darve, Eric ^a   Pohorille, Andrew ^b,c  

^a Stanford University   (United States)

^b NASA AMES RESEARCH CENTER   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADAPTIVE BIASING FORCE; THERMODYNAMIC INTEGRATION;

APPROXIMATION THEORY; CONFORMATIONS; ERROR ANALYSIS; INTEGRATION; INTERFACES (MATERIALS); PROBABILITY DENSITY FUNCTION; REACTION KINETICS; SAMPLING; STATISTICAL METHODS; SWITCHING;

FREE ENERGY;

EID: 1642617408     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1642607     Document Type: Review

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