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Volumn 16, Issue 1, 2002, Pages 11-26
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Further development and validation of empirical scoring functions for structure-based binding affinity prediction
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Author keywords
Binding affinity prediction; Consensus scoring; Empirical scoring molecular docking; Structure based drug design
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Indexed keywords
BINDING ENERGY;
COMPLEXATION;
FREE ENERGY;
HYDROGEN BONDS;
HYDROPHOBICITY;
LIGANDS;
MOLECULAR MODELING;
MULTIVARIANT ANALYSIS;
PROTEINS;
REGRESSION ANALYSIS;
STATISTICS;
VAN DER WAALS FORCES;
BINDING AFFINITIES;
BINDING AFFINITY PREDICTION;
BINDING FREE ENERGY;
CONSENSUS SCORING;
EMPIRICAL SCORING MOLECULAR DOCKING;
HYDROPHOBIC EFFECT;
MOLECULAR DOCKING;
PROTEIN-LIGAND COMPLEXES;
SCORING FUNCTIONS;
STRUCTURE BASED DRUG DESIGNS;
FORECASTING;
LIGAND;
PROTEIN;
ALGORITHM;
ARTICLE;
BINDING AFFINITY;
CALCULATION;
CALIBRATION;
CHEMICAL INTERACTION;
CHEMICAL STRUCTURE;
COMPLEX FORMATION;
COMPUTER PROGRAM;
CONTROLLED STUDY;
DEVICE;
ENERGY;
HYDROGEN BOND;
HYDROPHOBICITY;
PREDICTION;
PRIORITY JOURNAL;
REGRESSION ANALYSIS;
SCORING SYSTEM;
VALIDATION PROCESS;
BINDING SITE;
COMPUTER AIDED DESIGN;
COMPUTER SIMULATION;
DRUG DESIGN;
PROTEIN BINDING;
THERMODYNAMICS;
VALIDATION STUDY;
BINDING SITES;
COMPUTER SIMULATION;
COMPUTER-AIDED DESIGN;
DRUG DESIGN;
HYDROGEN BONDING;
LIGANDS;
MOLECULAR STRUCTURE;
PROTEIN BINDING;
REGRESSION ANALYSIS;
SOFTWARE;
THERMODYNAMICS;
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EID: 0036022960
PISSN: 0920654X
EISSN: None
Source Type: Journal
DOI: 10.1023/A:1016357811882 Document Type: Article |
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Times cited : (1066)
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References (37)
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