An efficient umbrella potential for the accurate calculation of free energies by molecular simulation

Journal of Chemical Physics

Volumn 133, Issue 4, 2010, Pages

  Wu, Di ^a,b  

^a FUDAN UNIVERSITY   (China)

^b Chinese Academy of Sciences   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BIOLOGICAL APPLICATIONS; ENERGETIC BARRIERS; LENNARD-JONES SYSTEMS; MODEL SYSTEM; MOLECULAR SIMULATIONS; PHASE SPACES; UMBRELLA SAMPLING; WATER SYSTEM; WEIGHTED HISTOGRAM ANALYSIS METHOD;

PHASE SPACE METHODS;

FREE ENERGY;

WATER;

ALGORITHM; ARTICLE; BIOCHEMISTRY; CHEMISTRY; METHODOLOGY; MOLECULAR DYNAMICS; REPRODUCIBILITY; SENSITIVITY AND SPECIFICITY; THERMODYNAMICS;

ALGORITHMS; BIOCHEMISTRY; MOLECULAR DYNAMICS SIMULATION; REPRODUCIBILITY OF RESULTS; SENSITIVITY AND SPECIFICITY; THERMODYNAMICS; WATER;

EID: 77955695862     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3464330     Document Type: Article

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