Modeling of inhibitor-metalloenzyme interactions and selectivity using molecular mechanics grounded in quantum chemistry

Proteins: Structure, Function and Genetics

Volumn 31, Issue 1, 1998, Pages 42-60

  Garmer, David R ^a   Gresh, Nohad ^b   Roques, Bernard Pierre ^b  

^a MOUNT SINAI SCHOOL OF MEDICINE   (United States)

^b Laboratoire de Pharmacochimie   (France)

Author keywords

Inhibitor; Metalloenzyme complexes; Molecular mechanics; Quantum chemistry; Selectivity

Indexed keywords

HYDROXAMIC ACID; MAGNESIUM; METALLOPROTEINASE; METALLOPROTEINASE INHIBITOR; THERMOLYSIN; ZINC;

ARTICLE; GEOMETRY; MECHANICS; MOLECULAR INTERACTION; PRIORITY JOURNAL; QUANTUM CHEMISTRY;

CHEMISTRY, PHYSICAL; HYDROXAMIC ACIDS; MATHEMATICS; METALLOENDOPEPTIDASES; METALS; MODELS, MOLECULAR; ORGANOPHOSPHORUS COMPOUNDS; PROTEASE INHIBITORS; PROTEIN BINDING; SULFHYDRYL COMPOUNDS; THERMODYNAMICS; THERMOLYSIN; ZINC;

EID: 0032054016     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-0134(19980401)31:1<42::AID-PROT5>3.0.CO;2-J     Document Type: Article

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