An MD/QM study of the chorismate mutase-catalyzed Claisen rearrangement reaction

Journal of Physical Chemistry B

Volumn 105, Issue 29, 2001, Pages 7087-7095

  Worthington, Sharon E ^a   Roitberg, Adrian E ^b   Krauss, Morris ^a  

^a UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE   (United States)

^b UNIVERSITY OF FLORIDA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EFFECTIVE FRAGMENT POTENTIALS (EFP);

ACTIVATION ENERGY; BIOSYNTHESIS; CATALYSIS; CHEMICAL BONDS; CONFORMATIONS; ELECTRON ENERGY LEVELS; HAMILTONIANS; ISOTOPES; MOLECULAR DYNAMICS; QUANTUM THEORY;

ENZYME KINETICS;

EID: 0035954984     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp010227w     Document Type: Article

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48. Disclaimer: Certain commercial equipment and materials are identified in this paper in order to specify the methods adequately. Such identification does not imply recommendation or endorsement by the National Institute of Standards and Technology, nor does it imply that the materials or equipment identified are necessarily the best available for the purpose.