Catalytic mechanism and performance of computationally designed enzymes for Kemp elimination

Journal of the American Chemical Society

Volumn 130, Issue 47, 2008, Pages 15907-15915

  Alexandrova, Anastassia N ^a   Röthlisberger, Daniela ^b   Baker, David ^b,c   Jorgensen, William L ^a  

^a YALE UNIVERSITY   (United States)

^b UNIVERSITY OF WASHINGTON SCHOOL OF MEDICINE   (United States)

^c UNIVERSITY OF WASHINGTON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSTS; DESIGN; FREE ENERGY; MECHANICS; MOLECULAR MECHANICS; PROCESS ENGINEERING; PROTEINS; PROTON TRANSFER; STATISTICAL MECHANICS; SURFACE REACTIONS;

ACTIVATION BARRIERS; ACTIVE SITES; ARTIFICIAL ENZYMES; CATALYTIC MECHANISMS; CATALYZED REACTIONS; COMPUTATIONAL ANALYSES; DESIGN PROCESSES; ENERGY PERTURBATIONS; ENERGY SURFACES; MONTE CARLO; REFERENCE PROCESSES; STRUCTURAL EVOLUTIONS; TRANSITION STATES;

ENZYMES;

5 NITROBENZISOXAZOLE; ENZYME; UNCLASSIFIED DRUG; WATER;

ARTICLE; CALCULATION; CATALYSIS; CHEMICAL BOND; ELIMINATION REACTION; ENERGY; ENZYME ACTIVATION; ENZYME MECHANISM; KEMP ELIMINATION; MOLECULAR EVOLUTION; MOLECULAR MECHANICS; MONTE CARLO METHOD; PERFORMANCE MEASUREMENT SYSTEM; PROTON TRANSPORT; QUANTUM MECHANICS; SIMULATION;

BIOCATALYSIS; COMPUTER SIMULATION; ENZYMES; KINETICS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; SOFTWARE; WATER;

EID: 56749170877     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja804040s     Document Type: Article

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