Ontology highlight
ABSTRACT:
SUBMITTER: Mhashal AR
PROVIDER: S-EPMC7883348 | biostudies-literature | 2021 Feb
REPOSITORIES: biostudies-literature
Mhashal Anil R AR Major Dan Thomas DT
The journal of physical chemistry. B 20210201 5
Calculation of temperature-dependent kinetic isotope effects (KIE) in enzymes presents a significant theoretical challenge. Additionally, it is not trivial to identify enzymes with available experimental accurate intrinsic KIEs in a range of temperatures. In the current work, we present a theoretical study of KIEs in the primitive R67 dihydrofolate reductase (DHFR) enzyme and compare with experimental work. The advantage of R67 DHFR is its significantly lower kinetic complexity compared to more ...[more]