Enzyme-catalyzed enolization reactions: A theoretical study on the energetics of concerted and stepwise pathways

Journal of Molecular Structure: THEOCHEM

Volumn 388, Issue 1-3, 1996, Pages 145-159

  Sargent, Andrew L ^a   Rollog, Mark E ^a   Almlöf, Jan E ^b,c,d   Gassman, Paul G ^b   Gerlt, John A ^e  

^a EAST CAROLINA UNIVERSITY   (United States)

^b University of Minnesota   (United States)

^c Army High Performance Computing Research Center   (United States)

^d UNIVERSITY OF MINNESOTA   (United States)

^e UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

Ab initio calculation; Enzyme catalysed; Hydrogen bond; LBHB; Proton transfer

Indexed keywords

EID: 0039694529     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0166-1280(96)80028-5     Document Type: Article

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