SMall Molecule Growth 2001 (SMoG2001): An improved knowledge-based scoring function for protein-ligand interactions

Journal of Medicinal Chemistry

Volumn 45, Issue 13, 2002, Pages 2770-2780

  Ishchenko, Alexey V ^a,b   Shakhnovich, Eugene I ^a  

^a HARVARD UNIVERSITY   (United States)

^b Concurrent Pharmaceuticals ^*  (United States)

Author keywords

[No Author keywords available]

Indexed keywords

LIGAND;

ACCURACY; ARTICLE; BINDING AFFINITY; CALCULATION; COMPLEX FORMATION; MOLECULAR DYNAMICS; MOLECULAR SIZE; PROTEIN PROTEIN INTERACTION; QUANTUM MECHANICS; SCORING SYSTEM;

CARBONIC ANHYDRASES; COMPUTING METHODOLOGIES; DATABASES, FACTUAL; LIGANDS; METALLOENDOPEPTIDASES; METALS; MOLECULAR CONFORMATION; PROTEIN BINDING; PROTEINS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; STATISTICS; THERMODYNAMICS;

EID: 0037142298     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm0105833     Document Type: Article

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