Application of Simulation and Theory to Biocatalysis and Biomimetics.
Adel M. Naylor, William A. Goddard III
1989Biocatalysis and Biomimetics , American Chemical Society,pp.65–874cited
Abstract
Examples are given for the role of simulation and theory in biocatalysis and biomimetics. Simulations on the novel Starburst Dendrimer polymers are used to suggest a design for encapsulating and delivering dopamine to the kidney for cardiovascular therapies. For Dihydrofolate Reductase (DHFR), the simulations (i) indicate why a particular mutation (Phe-31 to Tyr-31) causes a significant change in the catalytic rate, (ii) explain the high degree of kinetic similarity between two dissimilar forms of DHFR, and (iii) suggest that the stable form of the enzyme/substrate complex is not the reactive one.
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Cite this publication
Naylor, A. M. & III, W. A. G. (1989). Application of Simulation and Theory to Biocatalysis and Biomimetics.. *Biocatalysis and Biomimetics , American Chemical Society,pp.65–87*. https://doi.org/10.1021/bk-1989-0392.ch006