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Volumn 16, Issue 1, 2002, Pages 43-57
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Q-fit: A probabilistic method for docking molecular fragments by sampling low energy conformational space
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Author keywords
Drug design; Geometric hashing; GRID parameterization; Molecular mechanics; Pose clustering; Virtual screening
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Indexed keywords
BINDING ENERGY;
CONFORMATIONS;
GEOMETRY;
LEAD COMPOUNDS;
CLUSTERINGS;
CONFORMATIONAL SPACE;
DRUG DESIGN;
GEOMETRIC HASHING;
GRID PARAMETERIZATION;
LOWER ENERGIES;
MOLECULAR FRAGMENTS;
POSE CLUSTERING;
PROBABILISTIC METHODS;
VIRTUAL SCREENING;
CLUSTER ANALYSIS;
LIGAND;
DRUG RECEPTOR;
HYDROGEN;
ARTICLE;
BINDING AFFINITY;
COMPUTER PROGRAM;
CONTROLLED STUDY;
DATA BASE;
DEVICE;
ENERGY;
GEOMETRY;
METHODOLOGY;
MOLECULE;
PREDICTION;
PRIORITY JOURNAL;
PROBABILITY;
RECEPTOR BINDING;
SAMPLING;
STATISTICAL ANALYSIS;
THERMODYNAMICS;
ALGORITHM;
BINDING SITE;
CHEMICAL STRUCTURE;
CHEMISTRY;
COMPARATIVE STUDY;
COMPUTER SIMULATION;
CONFORMATION;
DRUG DESIGN;
DRUG SCREENING;
ELECTRON;
PROTEIN BINDING;
STATISTICAL MODEL;
ALGORITHMS;
BINDING SITES;
COMPUTER SIMULATION;
DRUG DESIGN;
DRUG EVALUATION, PRECLINICAL;
ELECTRONS;
HYDROGEN;
LIGANDS;
MODELS, MOLECULAR;
MODELS, STATISTICAL;
MOLECULAR CONFORMATION;
PROTEIN BINDING;
RECEPTORS, DRUG;
SOFTWARE;
THERMODYNAMICS;
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EID: 0036022961
PISSN: 0920654X
EISSN: None
Source Type: Journal
DOI: 10.1023/A:1016307520660 Document Type: Article |
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Times cited : (35)
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References (37)
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