Computer simulation and analysis of the reaction pathway of triosephosphate isomerase.

Abstract

A theoretical approach designed for chemical reactions in the condensed phase is used to determine the energy along the reaction path of the enzyme triosephosphate isomerase. The calculations address the role of the enzyme in lowering the barrier to reaction and provide a decomposition into specific residue contributions. The results suggest that, although… (More)

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@article{Bash1991ComputerSA, title={Computer simulation and analysis of the reaction pathway of triosephosphate isomerase.}, author={Paul A. Bash and M. J. Field and Ryan Davenport and Greg A. Petsko and Donald Ringe and Martin Karplus}, journal={Biochemistry}, year={1991}, volume={30 24}, pages={5826-32} }