Role of Ligand-Driven Conformational Changes in Enzyme Catalysis: Modeling the Reactivity of the Catalytic Cage of Triosephosphate Isomerase

[Image: see text] We have previously performed empirical valence bond calculations of the kinetic activation barriers, ΔG(‡)(calc), for the deprotonation of complexes between TIM and the whole substrate glyceraldehyde-3-phosphate (GAP, Kulkarni et al.J. Am. Chem. Soc.2017, 139, 10514–1052528683550)....

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Vydáno v:J Am Chem Soc
Hlavní autoři: Kulkarni, Yashraj S., Liao, Qinghua, Byléhn, Fabian, Amyes, Tina L., Richard, John P., Kamerlin, Shina C. L.
Médium: Artigo
Jazyk:Inglês
Vydáno: American Chemical Society 2018
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC5867644/
https://ncbi.nlm.nih.gov/pubmed/29516737
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jacs.8b00251
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