Free energy simulations over creation/annihilation paths for a flexible solute

Molecular Simulation

Volumn 28, Issue 1-2, 2002, Pages 39-44

  Mezei, Mihaly ^a  

^a NEW YORK UNIVERSITY   (United States)

Author keywords

Creation annihilation path; Flexible solute; Free energy simulation; Scaled constraint method

Indexed keywords

COMPUTER SIMULATION; CONSTRAINT THEORY; DEGREES OF FREEDOM (MECHANICS); MOLECULAR DYNAMICS;

ANNIHILATION PATH; CREATION PATH; FLEXIBLE SOLUTE; SCALED CONSTRAINT METHOD;

FREE ENERGY;

EID: 2342602095     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020211976     Document Type: Article

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