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Combined quantum and molecular mechanics (QM/MM)

✍ Scribed by Richard A. Friesner


Book ID
119226276
Publisher
Elsevier Science
Year
2004
Tongue
English
Weight
234 KB
Volume
1
Category
Article
ISSN
1740-6749

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Citrate synthase forms citrate by deprotonation of acetyl-CoA followed by nucleophilic attack of this substrate on oxaloacetate, and subsequent hydrolysis. The rapid reaction rate is puzzling because of the instability of the postulated nucleophilic intermediate, the enolate of acetyl-CoA. As altern