Issue 15, 1997
From the journal:

Chemical Communications

Prediction of transition state structure in protein tyrosine phosphatase catalysis using a hybrid QM/MM potential

Jason C. Hart,   Neil A. Burton,   Ian H Hillier,   Martin J. Harrison  and  Philip Jewsbury  

Abstract

The transition state for tyrosine phosphate hydrolysis by the enzyme protein tyrosine phosphatase (PTP1B) has been determined using a hybrid QM(PM3)/MM potential, showing that the reaction is dissociative with essentially no P–S bond formation in the transition state.

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Article information

DOI
https://doi.org/10.1039/A702304I
Article type
Paper

Chem. Commun., 1997, 1431-1432

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Prediction of transition state structure in protein tyrosine phosphatase catalysis using a hybrid QM/MM potential

J. C. Hart, N. A. Burton, I. H Hillier, M. J. Harrison and P. Jewsbury, Chem. Commun., 1997, 1431 DOI: 10.1039/A702304I

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