'Inductive' charges on atoms in proteins: Comparative docking with the extended steroid benchmark set and discovery of a novel SHBG ligand

Journal of Chemical Information and Modeling

Volumn 45, Issue 6, 2005, Pages 1842-1853

  Cherkasov, Artem ^a   Shi, Zheng ^a   Li, Yvonne ^b   Jones, Steven J M ^b   Fallahi, Magid ^c   Hammond, Geoffrey L ^c  

^a UNIVERSITY OF BRITISH COLUMBIA   (Canada)

^b BRITISH COLUMBIA CANCER AGENCY   (Canada)

^c UNIVERSITY OF BRITISH COLUMBIA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CHARGE CARRIERS; DATA ACQUISITION; DOCKING; HORMONES; MOLECULAR DYNAMICS;

CHARGE SYSTEMS; ELECTRONEGATIVITY; LIGANDS; PARTIAL CHARGES;

PROTEINS;

AMINO ACID; LIGAND; PROTEIN; SEX HORMONE BINDING GLOBULIN; STEROID;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; ELECTROCHEMISTRY; ELECTRON; HUMAN;

ALGORITHMS; AMINO ACIDS; ELECTROCHEMISTRY; ELECTRONS; HUMANS; LIGANDS; MODELS, MOLECULAR; PROTEINS; SEX HORMONE-BINDING GLOBULIN; STEROIDS;

EID: 28944446449     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci0498158     Document Type: Conference Paper

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