Molecular orbital studies of enzyme activity: I: Charge relay system and tetrahedral intermediate in acylation of serine proteinases.

The charge relay ststem and its role in the acylation of serine proteinases is studied using the partial retention of diatomic differential overlap (PRDDO) technique to perform approximate ab initio molecular orbital calculations on a model of the enzyme-substrate complex. The aspartate in the charg...

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Bibliographic Details
Main Authors: Scheiner, S, Kleier, D A, Lipscomb, W N
Format: Artigo
Language:Inglês
Published: 1975
Subjects:
Research Article
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC432818/
https://ncbi.nlm.nih.gov/pubmed/1058476
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