In silico analyses of substrate interactions with human serum paraoxonase 1

Proteins: Structure, Function and Bioinformatics

Volumn 75, Issue 2, 2009, Pages 486-498

  Hu, Xin ^a   Jiang, Xiaohui ^a   Lenz, David E ^b   Cerasoli, Douglas M ^b   Wallqvist, Anders ^a  

^a U S ARMY MEDICAL RESEARCH AND MATERIEL COMMAND   (United States)

^b US ARMY MEDICAL RESEARCH INSTITUTE OF CHEMICAL DEFENSE   (United States)

Author keywords

Binding free energy decomposition; Bioscavengers; Docking; Esterase; Homology modeling; Human paraoxonase; Lac tonase; Molecular dynamics simulations; Phosphotriesterase

Indexed keywords

ARYLDIALKYLPHOSPHATASE 1; ESTER; LACTONE; PHOSPHORIC ACID TRIESTER; UNCLASSIFIED DRUG; ARYLDIALKYLPHOSPHATASE; PON1 PROTEIN, HUMAN;

AMINO ACID SEQUENCE; ARTICLE; BINDING SITE; CATALYSIS; COMPLEX FORMATION; CRYSTAL STRUCTURE; ENZYME SPECIFICITY; HYDROPHOBICITY; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN PROTEIN INTERACTION; PROTEIN STRUCTURE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ENZYME ACTIVE SITE; HUMAN; METABOLISM; PROTEIN BINDING; THERMODYNAMICS;

PHOS;

ARYLDIALKYLPHOSPHATASE; CATALYTIC DOMAIN; COMPUTER SIMULATION; ESTERS; HUMANS; LACTONES; MODELS, MOLECULAR; PROTEIN BINDING; PROTEIN CONFORMATION; SUBSTRATE SPECIFICITY; THERMODYNAMICS;

EID: 66149157259     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.22264     Document Type: Article

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