Fast-growth thermodynamic integration: Results for sodium ion hydration

Molecular Simulation

Volumn 28, Issue 1-2, 2002, Pages 81-90

  Hummer, Gerhard ^a  

^a NATIONAL INSTITUTE OF DIABETES AND DIGESTIVE AND KIDNEY DISEASES   (United States)

Author keywords

Free energy perturbation theory; Ion solvation; Monte Carlo simulation; Nonequilibrium molecular dynamics

Indexed keywords

COMPUTER SIMULATION; HYDRATION; ION SOURCES; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PERTURBATION TECHNIQUES; SODIUM; THERMODYNAMICS;

FREE ENERGY PERTURBATION THEORY; ION SOLVATION; MONTE CARLO SIMULATION; NONEQUILIBRIUM MOLECULAR DYNAMICS; THERMODYNAMIC INTEGRATION (TI);

FREE ENERGY;

EID: 0002291676     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020211972     Document Type: Article

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