Lead finder: An approach to improve accuracy of protein-ligand docking, binding energy estimation, and virtual screening

Journal of Chemical Information and Modeling

Volumn 48, Issue 12, 2008, Pages 2371-2385

  Stroganov, Oleg V ^a   Novikov, Fedor N ^a   Stroylov, Viktor S ^a   Kulkov, Val ^b   Chilov, Ghermes G ^a  

^a MolTech Ltd   (Russian Federation)

^b BioMolTech Corp   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; FREE ENERGY; GENETIC ALGORITHMS; LIGANDS; PROTEINS;

ENERGY CONTRIBUTION; ENERGY PREDICTION; ENRICHMENT FACTORS; INACTIVE COMPOUNDS; LOCAL OPTIMIZATIONS; PROTEIN-LIGAND DOCKING; RECEIVER OPERATOR CURVES; SCORING FUNCTIONS;

BINDING ENERGY;

LIGAND; PROTEIN;

ALGORITHM; ARTICLE; BINDING SITE; CHEMISTRY; COMPUTER INTERFACE; COMPUTER PROGRAM; DRUG DEVELOPMENT; DRUG SCREENING; METABOLISM; PROTEIN DATABASE; STATISTICS; THERMODYNAMICS;

ALGORITHMS; BINDING SITES; DATABASES, PROTEIN; DRUG DISCOVERY; DRUG EVALUATION, PRECLINICAL; LIGANDS; PROTEINS; SOFTWARE; THERMODYNAMICS; USER-COMPUTER INTERFACE;

EID: 58149133913     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci800166p     Document Type: Article

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