Unorthodox uses of bennett's acceptance ratio method

Journal of Computational Chemistry

Volumn 30, Issue 11, 2009, Pages 1712-1718

  König, Gerhard ^a   Bruckner, Stefan ^a   Boresch, Stefan ^a  

^a UNIVERSITY OF VIENNA   (Austria)

Author keywords

Acceptance ratio method; Force field; Free energy stimulation; Implicit solvent

Indexed keywords

SOLUTIONS; SOLVENTS;

ACCEPTANCE RATIO METHOD; ALCHEMICAL FREE ENERGY SIMULATIONS; FORCE FIELD DEVELOPMENT; FORCE FIELDS; FREE-ENERGY DIFFERENCE; IMPLICIT SOLVENT MODEL; IMPLICIT SOLVENTS; THERMODYNAMIC INTEGRATION;

FREE ENERGY;

EID: 67649467652     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21255     Document Type: Article

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