Warshel A
Nature. 1976 Apr 22;260(5553):679-83. doi: 10.1038/260679a0.
Computer simulation of the molecular dynamics of retinal during its photoisomerisation inside a restrictive active site gives a detailed model for the sequence of events in the first step of the vision process. It is proposed that the prelumirhodopsin intermediate contains a strained all-trans retinal molecule produced directly and rapidly from the 11-cis, 12-s-trans conformation in rhodopsin by a bicycle-pedal isomerisation. The model reproduces the main experimental observations and explains how the protein makes the photoisomerisation path unique.
在受限活性位点内视黄醛进行光异构化过程中的分子动力学计算机模拟,为视觉过程第一步中事件的序列提供了一个详细模型。有人提出,前视紫红质中间体包含一个通过双踏板异构化直接且快速地从视紫红质中的11-顺式、12-反式构型产生的应变全反式视黄醛分子。该模型再现了主要的实验观察结果,并解释了蛋白质如何使光异构化路径具有独特性。