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

09 September 2019, Version 2
This content is a preprint and has not undergone peer review at the time of posting.


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.


triosephosphate isomerase
empirical valence bond
extended Brønsted relationship
computational enzymology
enzyme catalysis

Supplementary materials

Kamerlin SupportingInformation


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