Mobility of the active site bound paraoxon and sarin in zinc-phosphotriesterase by molecular dynamics simulation and quantum chemical calculation

Journal of the American Chemical Society

Volumn 123, Issue 5, 2001, Pages 817-826

  Koca J ^a   Zhan, C G ^a   Rittenhouse, R C ^a   Ornstein, R L ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

PARAOXON; PHOSPHOTRIESTERASE; SARIN; ZINC;

ARTICLE; CATALYSIS; COMPLEX FORMATION; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; ENZYME ACTIVE SITE; ENZYME SUBSTRATE; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; SIMULATION; STEREOCHEMISTRY; X RAY CRYSTALLOGRAPHY;

ARYLDIALKYLPHOSPHATASE; BINDING SITES; CRYSTALLOGRAPHY, X-RAY; ESTERASES; PARAOXON; SARIN;

EID: 0035819590     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja000439r     Document Type: Article

References (24)