On relation between the free-energy perturbation and Bennett's acceptance ratio methods: Tracing the influence of the energy gap

Journal of Chemical Physics

Volumn 132, Issue 19, 2010, Pages

  Luzhkov, V B ^a  

^a INSTITUTE OF PROBLEMS OF CHEMICAL PHYSICS   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

ENERGY GAP; ITERATIVE METHODS; METADATA; MOLECULAR DYNAMICS;

ACCEPTANCE RATIO; ACCEPTANCE RATIO METHOD; ASYMPTOTIC SOLUTIONS; FREE ENERGY PERTURBATION; HYDRATION FREE ENERGIES; MOLECULAR DYNAMICS SIMULATIONS; SELF-CONSISTENT CALCULATION; TAYLOR EXPANSIONS;

FREE ENERGY;

WATER;

ARTICLE; CHEMISTRY; MOLECULAR DYNAMICS; THERMODYNAMICS;

MOLECULAR DYNAMICS SIMULATION; THERMODYNAMICS; WATER;

EID: 77953007426     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3421559     Document Type: Article

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