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Uncovering the Role of Key Active Site Side Chains in Catalysis: An Extended Brønsted Relationship for Substrate Deprotonation Catalysed by Wild-Type and Variants of Triosephosphate Isomerase

preprint
revised on 07.09.2019 and posted on 09.09.2019 by Yashraj S. Kulkarni, Tina L. Amyes, John Richard, Shina Caroline Lynn Kamerlin
Manuscript and supporting information outlining an analysis of an extended Brønsted relationship obtained from empirical valence bond simulations of substrate deprotonation catalyzed by wild-type and mutant variants of triosephosphate isomerase.

Funding

Vetenskapsrådet 2015-04298

National Institutes of Health GM03597

National Institutes of Health GM116921

Knut and Alice Wallenberg Foundation 2013.0124

Knut and Alice Wallenberg Foundation 2018.0140

Human Frontier Science Program RGP0041/2017

Sven and Lilly Lawski Foundation (PhD Fellowship to YK)

Swedish National Infrastructure for Computing 2017/12-11

Swedish National Infrastructure for Computing 2018/2-3

History

Email Address of Submitting Author

lynn.kamerlin@kemi.uu.se

Institution

Uppsala University

Country

Sweden

ORCID For Submitting Author

0000-0002-3190-1173

Declaration of Conflict of Interest

No conflict of interest.

Version Notes

Version 2.0: Revised submission.

Licence

Exports