Improved scoring of ligand-protein interactions using OWFEG free energy grids

Journal of Medicinal Chemistry

Volumn 44, Issue 4, 2001, Pages 502-511

  Pearlman, D A ^a   Charifson, P S ^a  

^a VERTEX PHARMACEUTICALS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ASPARTIC PROTEINASE; LIGAND; MITOGEN ACTIVATED PROTEIN KINASE; PROTEIN;

ARTICLE; BINDING AFFINITY; CALCULATION; DATA BASE; ENERGY; ENTROPY; ENZYME ACTIVITY; HUMAN IMMUNODEFICIENCY VIRUS 1; LIGAND BINDING; PROTEIN INTERACTION; SIMULATION; SOLVATION;

DATABASES, FACTUAL; DRUG DESIGN; LIGANDS; MODELS, MOLECULAR; PROTEINS; THERMODYNAMICS;

EID: 0035865781     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm000375v     Document Type: Article

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