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Volumn 11, Issue 12, 2001, Pages 1541-1544
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Rationale for the observed COX-2/COX-1 selectivity of celecoxib from Monte Carlo simulations
a
a
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Author keywords
[No Author keywords available]
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Indexed keywords
4 [5 (4 BROMOPHENYL) 3 TRIFLUOROMETHYL 1H PYRAZOL 1 YL]BENZENESULFONAMIDE;
5 (4 FLUOROPHENYL) 1 [(4 METHYLSULFONYL)PHENYL] 3 TRIFLUOROMETHYLPYRAZOLE;
ARGININE;
CELECOXIB;
CYCLOOXYGENASE 1;
CYCLOOXYGENASE 2;
FLURBIPROFEN;
HISTIDINE;
ISOENZYME;
ISOLEUCINE;
METHYL GROUP;
NONSTEROID ANTIINFLAMMATORY AGENT;
OXYGEN;
SULFONAMIDE;
VALINE;
AMINO ACID SUBSTITUTION;
ARTHRITIS;
ARTICLE;
BINDING AFFINITY;
BINDING SITE;
CALCULATION;
CRYSTAL STRUCTURE;
DRUG MECHANISM;
DRUG PROTEIN BINDING;
DRUG SELECTIVITY;
DRUG STRUCTURE;
ENERGY;
ENZYME BINDING;
ENZYME STRUCTURE;
MOLECULAR MODEL;
MUTATION;
PROTEIN STABILITY;
SIMULATION;
STEREOCHEMISTRY;
STOICHIOMETRY;
SYSTEM ANALYSIS;
AMINO ACID SUBSTITUTION;
ANTI-INFLAMMATORY AGENTS, NON-STEROIDAL;
ANTINEOPLASTIC AGENTS;
CYCLOOXYGENASE 1;
CYCLOOXYGENASE 2;
CYCLOOXYGENASE 2 INHIBITORS;
CYCLOOXYGENASE INHIBITORS;
HUMANS;
ISOENZYMES;
MEMBRANE PROTEINS;
MODELS, MOLECULAR;
MONTE CARLO METHOD;
PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES;
PROTEIN BINDING;
PYRAZOLES;
SULFONAMIDES;
THERMODYNAMICS;
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EID: 0035907469
PISSN: 0960894X
EISSN: None
Source Type: Journal
DOI: 10.1016/S0960-894X(00)00522-9 Document Type: Article |
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Times cited : (26)
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References (18)
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