Absolute free energy calculations by thermodynamic integration in four spatial dimensions

Journal of Chemical Physics

Volumn 123, Issue 3, 2005, Pages

  Rodinger, Tomas ^a,b,c   Howell, P Lynne ^a,b   Pom̀s, Ŕgis ^a,b  

^a HOSPITAL FOR SICK CHILDREN   (Canada)

^b UNIVERSITY OF TORONTO   (Canada)

^c UNIVERSITY OF TORONTO   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ERROR ANALYSIS; FREE ENERGY; HYDRATION; STATISTICAL METHODS; THERMODYNAMICS; WATER;

BIOMOLECULES; CHEMICAL POTENTIAL; MOLECULAR LIGANDS; MOLECULAR SIMULATION;

MOLECULAR DYNAMICS;

EID: 23744508332     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1946750     Document Type: Article

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