Drug efficiency indices for improvement of molecular docking scoring functions

Journal of Computational Chemistry

Volumn 31, Issue 1, 2010, Pages 174-184

  García Sosa, Alfonso T ^a   Hetényi, Csaba ^a   Maran, U K O ^a  

^a UNIVERSITY OF TARTU   (Estonia)

Author keywords

Docking; Drug design; Free energy of binding; Scoring function; Virtual screening

Indexed keywords

ACTIVE MOLECULES; COMPOUND COLLECTIONS; DATA SETS; DOCKING METHODS; DOCKING PROGRAMS; DOCKING SCORING FUNCTION; DRUG DESIGN; EFFICIENCY INDEX; FREE ENERGY OF BINDING; MOLECULAR DOCKING; PARTITION COEFFICIENT; SCORING FUNCTIONS; VIRTUAL SCREENING; WIENER INDEX;

CRYSTAL STRUCTURE; DOCKING; FREE ENERGY; LIGANDS; MOLECULAR MODELING;

BINDING ENERGY;

LIGAND; PROTEIN;

ARTICLE; BIOLOGY; CHEMISTRY; COMPARATIVE STUDY; METHODOLOGY; PROTEIN BINDING; THERMODYNAMICS;

COMPUTATIONAL BIOLOGY; LIGANDS; PROTEIN BINDING; PROTEINS; THERMODYNAMICS;

EID: 72449144245     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21306     Document Type: Article

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