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Reaction Mechanism of the HGXPRTase from Plasmodium f alciparum : A Hybrid Potential Quantum Mechanical/Molecular Mechanical Study

✍ Scribed by Thomas, Aline; Field, Martin J.

Book ID
126018087
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
221 KB
Volume
124
Category
Article
ISSN
0002-7863

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✍ Haiyan Liu; Yunyu Shi πŸ“‚ Article πŸ“… 1994 πŸ› John Wiley and Sons 🌐 English βš– 658 KB

The procedure of combined semiempirical quantum mechanical (AM11 and molecular mechanical potential7 was used to study the nucleophilic addition of hydroxide to formaldehyde in solution. The gas phase AM1 potential surface is approximately 26 kcal/mol more exothermic than the corresponding ab initio