Truhlar Donald G
Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, 207 Pleasant St. SE, Minneapolis, MN 55455, United States.
Arch Biochem Biophys. 2015 Sep 15;582:10-7. doi: 10.1016/j.abb.2015.05.004. Epub 2015 May 23.
This article is an essay that discusses the concepts underlying the application of modern transition state theory to reactions in enzymes. Issues covered include the potential of mean force, the quantization of vibrations, the free energy of activation, and transmission coefficients to account for nonequilibrium effect, recrossing, and tunneling.
本文是一篇论述现代过渡态理论在酶促反应中应用的基本概念的文章。涵盖的问题包括平均力势、振动量子化、活化自由能以及用于解释非平衡效应、再穿越和隧穿的传输系数。