Absolute binding free energy calculations using molecular dynamics simulations with restraining potentials

Biophysical Journal

Volumn 91, Issue 8, 2006, Pages 2798-2814

  Wang, Jiyao ^a   Deng, Yuqing ^b   Roux, Benoît ^a,b  

^a UNIVERSITY OF CHICAGO   (United States)

^b ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

LIGAND; PROTEIN; PROTEIN FKBP12; UNCLASSIFIED DRUG;

ARTICLE; BINDING SITE; CALCULATION; ENERGY; GENE EXPRESSION; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; PROTEIN INTERACTION; SIMULATION; SOLVATION;

EID: 33749532284     PISSN: 00063495     EISSN: None     Source Type: Journal    
DOI: 10.1529/biophysj.106.084301     Document Type: Article

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