光感受黄素蛋白的计算光谱学、动力学及光化学

Computational spectroscopy, dynamics, and photochemistry of photosensory flavoproteins.

作者信息

Domratcheva Tatiana, Udvarhelyi Anikó, Shahi Abdul Rehaman Moughal

机构信息

Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Jahnstraße 29, 69120, Heidelberg, Germany,

出版信息

Methods Mol Biol. 2014;1146:191-228. doi: 10.1007/978-1-4939-0452-5_10.

DOI:10.1007/978-1-4939-0452-5_10

PMID:24764094

Abstract

Extensive interest in photosensory proteins stimulated computational studies of flavins and flavoproteins in the past decade. This review is dedicated to the three central topics of these studies: calculations of flavin UV-visible and IR spectra, simulated dynamics of photoreceptor proteins, and flavin photochemistry. Accordingly, this chapter is divided into three parts; each part describes corresponding computational protocols, summarizes computational results, and discusses the emerging mechanistic picture.

摘要

在过去十年中，对光感蛋白的广泛兴趣激发了对黄素和黄素蛋白的计算研究。本综述致力于这些研究的三个核心主题：黄素紫外可见光谱和红外光谱的计算、光感受器蛋白的模拟动力学以及黄素光化学。因此，本章分为三个部分；每个部分描述相应的计算方法，总结计算结果，并讨论新出现的机理图景。