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Volumn 16, Issue 2, 2002, Pages 113-127
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Modified AutoDock for accurate docking of protein kinase inhibitors
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Author keywords
Approximation of solvation; AutoDock; Force field; Hydrogen bonding; Inhibitor design; Scoring function
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Indexed keywords
BINDING SITES;
DESIGN;
ENZYME INHIBITION;
HYDROPHOBICITY;
SEARCH ENGINES;
APPROXIMATION OF SOLVATION;
AUTODOCK;
CELLULAR SIGNALLING;
FORCEFIELDS;
INHIBITOR DESIGN;
KINASE INHIBITORS;
PROTEIN KINASE;
PROTEIN KINASE INHIBITORS;
SCORING FUNCTIONS;
SIGNALLING PATHWAYS;
HYDROGEN BONDS;
4 (4 FLUOROPHENYL) 2 (4 METHYLSULFINYLPHENYL) 5 (4 PYRIDYL)IMIDAZOLE;
ADENOSINE DIPHOSPHATE;
BATIMASTAT;
MITOGEN ACTIVATED PROTEIN KINASE;
NEW DRUG;
PROTEIN KINASE;
PROTEIN KINASE INHIBITOR;
PYRAZOLOPYRIMIDINE DERIVATIVE;
SYNAPTOPHYSIN;
ENZYME INHIBITOR;
LIGAND;
MITOGEN ACTIVATED PROTEIN KINASE P38;
PROTEIN TYROSINE KINASE;
PROTEIN TYROSINE KINASE C SRC;
PROTEIN-TYROSINE KINASE C-SRC;
ACCURACY;
ALGORITHM;
ARTICLE;
CALCULATION;
COMPUTER PROGRAM;
CONTROLLED STUDY;
CRYSTAL STRUCTURE;
DATA BASE;
DRUG DESIGN;
ENERGY;
HYDROGEN BOND;
HYDROPHOBICITY;
MATHEMATICAL COMPUTING;
METHODOLOGY;
MOLECULAR MODEL;
PRIORITY JOURNAL;
PROTEIN TARGETING;
SOLVATION;
CHEMICAL STRUCTURE;
CHEMISTRY;
COMPUTER SIMULATION;
DRUG ANTAGONISM;
ENZYME ACTIVE SITE;
GENETICS;
MUTATION;
THERMODYNAMICS;
ADENOSINE DIPHOSPHATE;
CATALYTIC DOMAIN;
COMPUTER SIMULATION;
ENZYME INHIBITORS;
LIGANDS;
MITOGEN-ACTIVATED PROTEIN KINASES;
MODELS, MOLECULAR;
MUTATION;
P38 MITOGEN-ACTIVATED PROTEIN KINASES;
PROTEIN KINASE INHIBITORS;
PROTEIN KINASES;
PROTEIN-TYROSINE KINASES;
SOFTWARE;
THERMODYNAMICS;
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EID: 0036022957
PISSN: 0920654X
EISSN: None
Source Type: Journal
DOI: 10.1023/A:1016366013656 Document Type: Article |
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Times cited : (59)
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References (58)
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