Successful molecular dynamics simulation of two zinc complexes bridged by a hydroxide in phosphotriesterase using the cationic dummy atom method

Proteins: Structure, Function and Genetics

Volumn 45, Issue 3, 2001, Pages 183-189

  Pang, Yuan Ping ^a,b  

^a MAYO CLINIC CANCER CENTER   (United States)

^b MAYO CLINIC   (United States)

Author keywords

Coordination chemistry; Metal metal interactions; Metalloproteins; Molecular dynamics; Zinc

Indexed keywords

METALLOPROTEIN; PHOSPHOTRIESTERASE; ZINC FINGER PROTEIN;

ALGORITHM; ARTICLE; CRYSTALLOGRAPHY; DIELECTRIC CONSTANT; ENZYME ACTIVE SITE; MOLECULAR DYNAMICS; MOLECULAR MODEL; PRIORITY JOURNAL; PROTEIN PROTEIN INTERACTION; PROTEIN STRUCTURE; PROTON TRANSPORT; SOLVATION; X RAY ANALYSIS;

ALGORITHMS; ARYLDIALKYLPHOSPHATASE; CATIONS, DIVALENT; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; ESTERASES; HYDROXIDES; MODELS, MOLECULAR; PHOSPHONIC ACIDS; PROTEIN CONFORMATION; THERMODYNAMICS; ZINC;

EID: 0035889687     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.1138     Document Type: Article

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