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Volumn 15, Issue 11, 2001, Pages 979-996
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Structure-based ligand design for flexible proteins: Application of new F-DycoBlock
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Author keywords
Cyclooxygenase2; De novo structure based ligand design; DycoBlock; Flexible drug design; HIV protease; Multiple copy
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Indexed keywords
ATOMS;
BINDING SITES;
DESIGN;
DISEASES;
HYDROGEN BONDS;
LIGANDS;
MOLECULAR DYNAMICS;
PROTEINS;
STOCHASTIC SYSTEMS;
CYCLOOXYGENASE 2;
DE NOVO STRUCTURE-BASED LIGAND DESIGN;
DRUG DESIGN;
DYCOBLOCK;
FLEXIBLE DRUG DESIGN;
HIV-1 PROTEASE;
HIV-PROTEASE;
LIGAND DESIGN;
MULTIPLE COPY;
STRUCTURE-BASED;
BINDING ENERGY;
4 [5 (4 BROMOPHENYL) 3 TRIFLUOROMETHYL 1H PYRAZOL 1 YL]BENZENESULFONAMIDE;
ANTIRETROVIRUS AGENT;
BINDING PROTEIN;
CYCLOOXYGENASE 2;
CYCLOOXYGENASE 2 INHIBITOR;
DRUG RECEPTOR;
L 700417;
PROTEINASE;
SOLVENT;
UNCLASSIFIED DRUG;
VIRUS ENZYME;
ARTICLE;
COMPUTER AIDED DESIGN;
COMPUTER PROGRAM;
CONTROLLED STUDY;
DRUG BINDING SITE;
DRUG DESIGN;
DRUG STRUCTURE;
HUMAN IMMUNODEFICIENCY VIRUS 1;
HYDROGEN BOND;
INTERMETHOD COMPARISON;
PRIORITY JOURNAL;
PROTEIN CONFORMATION;
PROTEIN STRUCTURE;
STOCHASTIC MODEL;
STRUCTURE ACTIVITY RELATION;
SURFACE PROPERTY;
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EID: 0035731507
PISSN: 0920654X
EISSN: None
Source Type: Journal
DOI: 10.1023/A:1014817911249 Document Type: Article |
Times cited : (33)
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References (51)
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