用于酶反应建模的量子化学簇方法的现状报告。
Status report on the quantum chemical cluster approach for modeling enzyme reactions.
作者信息
Himo Fahmi, de Visser Sam P
机构信息
Department of Organic Chemistry, Arrhenius Laboratory, Stockholm University, SE-10691, Stockholm, Sweden.
Manchester Institute of Biotechnology and Department of Chemical Engineering and Analytical Science, The University of Manchester, 131 Princess Street, Manchester, M1 7DN, UK.
出版信息
Commun Chem. 2022 Mar 8;5(1):29. doi: 10.1038/s42004-022-00642-2.
Abstract
The cluster approach is a very valuable technique for elucidating reaction mechanisms of enzymes. Here, the authors discuss the current status of this methodology, highlighting its strengths and weaknesses, and argue that it should be the method of choice for investigating enzymatic reaction mechanisms.
摘要
聚类方法是阐明酶反应机制的一种非常有价值的技术。在此，作者讨论了该方法的现状，突出了其优点和缺点，并认为它应该是研究酶促反应机制的首选方法。
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