Information theory-based scoring function for the structure-based prediction of protein-ligand binding affinity

Journal of Chemical Information and Modeling

Volumn 48, Issue 10, 2008, Pages 1990-1998

  Kulharia, Mahesh ^a,b   Goody, Roger S ^a   Jackson, Richard M ^b  

^a MAX PLANCK INSTITUTE OF MOLECULAR PHYSIOLOGY   (Germany)

^b UNIVERSITY OF LEEDS   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; COMPLEXATION; CRYSTAL ATOMIC STRUCTURE; GOLD; INFORMATION THEORY; KNOWLEDGE ACQUISITION; KNOWLEDGE BASED SYSTEMS; LIGANDS; MOLECULES; PROTEINS; STATISTICAL TESTS;

ATOMIC CONTACTS; BINDING AFFINITIES; PROTEIN RECEPTORS; PROTEIN-LIGAND BINDING AFFINITIES; PROTEIN-LIGAND COMPLEXES; SCORING FUNCTIONS; TYPE CLASSIFICATIONS; X RAY CRYSTAL STRUCTURES;

BINDING ENERGY;

ADENOSINE DEAMINASE; LIGAND; PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE; PROTEIN;

ALGORITHM; ARTICLE; CHEMISTRY; COMPUTER PROGRAM; COMPUTER SIMULATION; DRUG EFFECT; DRUG SCREENING; ENTROPY; INFORMATION SCIENCE; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN DATABASE; REPRODUCIBILITY; STRUCTURE ACTIVITY RELATION; X RAY DIFFRACTION;

ADENOSINE DEAMINASE; ALGORITHMS; COMPUTER SIMULATION; DATABASES, PROTEIN; DRUG EVALUATION, PRECLINICAL; ENTROPY; INFORMATION THEORY; LIGANDS; PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEINS; REPRODUCIBILITY OF RESULTS; SOFTWARE; STRUCTURE-ACTIVITY RELATIONSHIP; X-RAY DIFFRACTION;

EID: 56449121765     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci800125k     Document Type: Article

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