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Reaction-Path Energetics and Kinetics of the Hydride Transfer Reaction Catalyzed by Dihydrofolate Reductase †

✍ Scribed by Garcia-Viloca, Mireia; Truhlar, Donald G.; Gao, Jiali


Book ID
126434891
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
371 KB
Volume
42
Category
Article
ISSN
0006-2960

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A theoretical study is presented of the catalytic mechanism of dihydrofolate reductase (DHFR) enzyme based upon the characterization of the transition structure (TS) for the hydride transfer step. Analytical gradients at AM1 and PM3 semiempirical levels have been used to characterize the saddle poin