Computational analysis of the taxadiene synthase reaction pathway

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Computational analysis of the taxadiene synthase reaction pathway

The taxadiene synthase reaction pathway deﬁnes a complex carbocation cascade that offers multiple stable intermediates that, in turn, can lead to multiple relevant products in chemistry. Because of the promiscuity of the terpene chemistry, simple modiﬁcations to the natural taxadiene synthase protei...

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Bibliographic Details
Main Author:	Amory, Ross
Format:	Thesis (University of Nottingham only)
Language:	English
Published:	2025
Subjects:	QM/MM MD Taxadiene Synthase Umbrella Sampling DFT Benchmark Mutation Study
Online Access:	https://eprints.nottingham.ac.uk/80721/

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