Article
Effect of mutation on enzyme motion in dihydrofolate reductase.
Journal of the American Chemical Society - 2 Apr 2003
Watney James B, Agarwal Pratul K, Hammes-Schiffer Sharon
Abstract excerpt
Hybrid quantum-classical molecular dynamics simulations of a mutant Escherichia coli dihydrofolate reductase enzyme are presented. Although residue 121 is on the exterior of the enzyme, experimental studies have shown that the mutation of Gly-121 to valine reduces the rate of hydride transfer by...
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