Specialty Chemistry Forums > Other Sciences Question Forum

Computational Chemistry and Enzyme-Catalyzed Reactions

(1/1)

coolman50544:
What is the feasibility of utilizing computational chemistry to predict the outcome of potential enzyme-catalyzed reactions? Is it possible to predict spontaneity, enantioselectivity, diastereoselectivity, and so forth in these sort of reactions, especially if complex enzymes are involved as a catalyst? What kind of computational power is necessary at the higher and lower levels of theory?

Has this or something similar been done before?

Navigation

[0] Message Index