Elucidation of hydrolysis mechanisms for fatty acid amide hydrolase and its Lys142Ala variant via QM/MM simulations

Journal of the American Chemical Society

Volumn 128, Issue 51, 2006, Pages 16904-16913

  Tubert Brohman, Ivan ^a   Acevedo, Orlando ^a   Jorgensen, William L ^a  

^a YALE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ESTERS; FATTY ACIDS; HYDROLYSIS; MONTE CARLO METHODS; NITROGEN COMPOUNDS;

FATTY ACID AMIDE HYDROLASE (FAAH); FREE ENERGY PERTURBATION CALCULATIONS; MOLECULAR MECHANICS; NEUROLOGICAL DISORDERS;

ENZYME KINETICS;

ANANDAMIDE; ENDOCANNABINOID; FATTY ACID AMIDASE; LIPID; OLEAMIDE; OLEIC ACID METHYL ESTER; SERINE DEHYDRATASE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; FATTY ACID ANALYSIS; HYDROLYSIS; MOLECULAR MECHANICS; MONTE CARLO METHOD; NEUROLOGIC DISEASE; PROTON TRANSPORT; QUANTUM MECHANICS; REPRODUCIBILITY; SEQUENCE ANALYSIS;

EID: 33845923661     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja065863s     Document Type: Article

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