Article
The catalytic effect of dihydrofolate reductase and its mutants is determined by reorganization energies.
Biochemistry - 22 May 2007
Liu Hanbin, Warshel Arieh
Abstract excerpt
The effect of distant mutations on the catalytic reaction of dihydrofolate reductase (DHFR) is reexamined by empirical valence bond simulations. The simulations reproduce for the first time the changes in the observed rate constants (without the use of adjustable parameters for this purpose) and show that the changes in activation barriers are strongly correlated with the corresponding changes in the...
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