Title
Simulating Enzyme Reactivity: Computational Methods in Enzyme Catalysis, I. Tuñón, V. Moliner (Eds.). The Royal Society of Chemistry Publishing, UK (2017)
Author ORCID Identifier
https://orcid.org/0000-0002-2956-9781 : James W. Gauld
Document Type
Article
Publication Date
12-2017
Publication Title
Computational and Theoretical Chemistry
Volume
1122
First Page
67
Last Page
68
Abstract
Highlights:
Illustrative examples of QM/MM methods applied to thestudy of enzymatic mechanisms
Computational modelling of factors underlying the catalyticpower of enzymes
Multi-scale computational investigations on biocatalyticsystems
DOI
10.1016/j.comptc.2017.06.012
Recommended Citation
Gauld, James. (2017). Simulating Enzyme Reactivity: Computational Methods in Enzyme Catalysis, I. Tuñón, V. Moliner (Eds.). The Royal Society of Chemistry Publishing, UK (2017). Computational and Theoretical Chemistry, 1122, 67-68.
https://scholar.uwindsor.ca/chemistrybiochemistrypub/102