Docking of sulfonamides to carbonic anhydrase II and IV

Journal of Molecular Graphics and Modelling

Volumn 18, Issue 3, 2000, Pages

  Esposito, Emilio Xavier ^a   Baran, Kelli ^a   Kelly, Ken ^b   Madura, Jeffry D ^a  

^a DUQUESNE UNIVERSITY   (United States)

^b INSTITUTE FOR RESEARCH IN IMMUNOLOGY AND CANCER   (Canada)

Author keywords

Carbonic anhydrase; Docking; Metalloenzymes; Molecular operating environment

Indexed keywords

CARBON; ENZYME INHIBITION; ENZYMES; PROTEINS; ALGORITHMS; COMPUTER SIMULATION; DATABASE SYSTEMS; HYDROGEN BONDS; MONTE CARLO METHODS; SIMULATED ANNEALING;

BINDING FREE ENERGIES; CURRENT AUTOMATED DOCKING PROCEDURES;

MOLECULAR GRAPHICS; MOLECULAR DYNAMICS;

CARBONATE DEHYDRATASE; CARBONATE DEHYDRATASE II; ENZYME INHIBITOR; ISOENZYME; SULFONAMIDE;

ARTICLE; BINDING AFFINITY; CHEMICAL STRUCTURE; ENZYME ACTIVE SITE; ENZYME INHIBITION; ENZYME SUBSTRATE COMPLEX; PRIORITY JOURNAL; PROTEIN BINDING;

RUMEX;

CARBONIC ANHYDRASE; ELECTROSTATIC POTENTIAL; INTERACTION ENERGY; INTRAOCULAR PRESSURE; METALLOENZYMES; MOLECULAR OPERATING ENVIRONMENT; ROOT MEAN SQUARE DEVIATION; SULFONAMIDES;

EID: 0034204606     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1093-3263(00)00040-1     Document Type: Article

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