Chemical Forums
Specialty Chemistry Forums => Other Sciences Question Forum => Topic started by: coolman50544 on July 02, 2019, 10:17:49 PM
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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?