Free energy grids: A practical qualitative application of free energy perturbation to ligand design using the OWFEG method

Journal of Medicinal Chemistry

Volumn 42, Issue 21, 1999, Pages 4313-4324

  Pearlman, David A ^a  

^a VERTEX PHARMACEUTICALS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

QUINOLINE DERIVATIVE; TACROLIMUS;

ARTICLE; COMPUTER SIMULATION; DRUG DESIGN; ENERGY TRANSFER; LIGAND BINDING; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; QUALITATIVE DIAGNOSIS;

DRUG DESIGN; LIGANDS; MODELS, MOLECULAR; STRUCTURE-ACTIVITY RELATIONSHIP; TACROLIMUS;

EID: 0032698313     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm990133z     Document Type: Article

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