M. G. Khrenova, T. I. Mulashkina, A. M. Kulakova, I. V. Polyakov, A. V. Nemukhin
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Computer Modeling of the Mechanisms of Enzymatic Reactions: Lessons from 20 Years of Practice
The combined quantum mechanics/molecular mechanics method is most often used to describe the molecular mechanisms of enzymatic reactions. The review discusses the main methodological issues, gives practical recommendations, and also illustrates the progress of the method over the past 20 years using an important example of the reaction of guanosine triphosphate hydrolysis by a protein complex.
期刊介绍：
Moscow University Chemistry Bulletin is a journal that publishes review articles, original research articles, and short communications on various areas of basic and applied research in chemistry, including medical chemistry and pharmacology.
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