Revisiting Free Energy Calculations: A Theoretical Connection to MM/PBSA and Direct Calculation of the Association Free Energy

Biophysical Journal

Volumn 86, Issue 1 I, 2004, Pages 67-74

  Swanson, Jessica M J ^a   Henchman, Richard H ^a   McCammon, J Andrew ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b HOWARD HUGHES MEDICAL INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

FK 506 BINDING PROTEIN; IMMUNOPHILIN;

ARTICLE; BINDING AFFINITY; CALCULATION; ENERGY TRANSFER; LIGAND BINDING; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MOLECULAR MODEL; PROTEIN CONFORMATION; PROTEIN PROTEIN INTERACTION; SIMULATION; THERMODYNAMICS;

EID: 0347949637     PISSN: 00063495     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0006-3495(04)74084-9     Document Type: Article

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