Efficient and precise solvation free energies via alchemical adiabatic molecular dynamics

Journal of Chemical Physics

Volumn 125, Issue 7, 2006, Pages

  Abrams, Jerry B ^a   Rosso, Lula ^a,c   Tuckerman, Mark E ^a,b  

^a NEW YORK UNIVERSITY   (United States)

^b NEW YORK UNIVERSITY   (United States)

^c IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMPOSITION; FREE ENERGY; HAMILTONIANS; PROBABILITY DISTRIBUTIONS; SEPARATION; SWITCHING FUNCTIONS;

ADIABATIC DYNAMICS; FREE ENERGY DYNAMICS; SWITCHING PARAMETER; THERMODYNAMIC STATES;

MOLECULAR DYNAMICS;

EID: 33747625442     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2232082     Document Type: Article

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