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The document discusses ab initio quantum mechanical calculations to model phosphate hydrolysis reactions involved in phosphorylation and dephosphorylation of serine, threonine, and tyrosine residues. The authors reduced the problem to the hydrolysis of methyl phosphate to model serine/threonine and phenyl phosphate to model tyrosine. Calculations using HF, B3LYP, and MP2 methods with a 6-31+G(d) basis set were performed on these models with and without water as a catalyst. The results provide insight into t
- Author
- sepot24093
- Language
- EN