PM3-compatible zinc parameters optimized for metalloenzyme active sites

Journal of Computational Chemistry

Volumn 25, Issue 14, 2004, Pages 1677-1692

  Brothers, Edward N ^a   Suarez, Dimas ^b   Deerfield II, David W ^c   Merz Jr , Kenneth M ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

^b UNIVERSITY OF OVIEDO   (Spain)

^c PITTSBURGH SUPERCOMPUTING CENTER   (United States)

Author keywords

Metalloenzyme active sites; Zinc parameters

Indexed keywords

HYDROXIDE LIGANDS; METALLOENZYME ACTIVE SITES; ZINC PARAMETERS;

COMPUTER SIMULATION; ENZYME KINETICS; ENZYMES; OPTIMIZATION; PROBLEM SOLVING; ZINC COMPOUNDS;

ZINC;

BETA LACTAMASE; METALLOPROTEIN; ZINC;

ARTICLE; BACILLUS; BINDING SITE; CHEMICAL MODEL; CHEMISTRY; CONFORMATION; ENZYMOLOGY; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

BACILLUS; BETA-LACTAMASES; BINDING SITES; CRYSTALLOGRAPHY, X-RAY; METALLOPROTEINS; MODELS, CHEMICAL; MOLECULAR CONFORMATION; THERMODYNAMICS; ZINC;

EID: 5444222194     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20086     Document Type: Article

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