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Theoretical Studies on Models for the Oxo-Transfer Reaction of Dioxomolybdenum Enzymes

✍ Scribed by Pietsch, Michelle A.; Hall, Michael B.

Book ID
125944678
Publisher
American Chemical Society
Year
1996
Tongue
English
Weight
246 KB
Volume
35
Category
Article
ISSN
0020-1669

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πŸ“œ SIMILAR VOLUMES

On Transition Structures for Hydride Tra
On Transition Structures for Hydride Transfer Step: A Theoretical Study of the Reaction Catalyzed by Dihydrofolate Reductase Enzyme
✍ J. AndrΓ©s; V. Moliner; V.S. Safont; L.R. Domingo; M.T. Picher; J. Krechl πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 177 KB

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