通过核磁共振光谱进行自动结构测定。

Automated structure determination from NMR spectra.

作者信息

Schmidt Elena, Güntert Peter

机构信息

Institute of Biophysical Chemistry, Center for Biomolecular Magnetic Resonance, Max-von-Laue-Str. 9, 60438, Frankfurt am Main, Germany.

出版信息

Methods Mol Biol. 2015;1261:303-29. doi: 10.1007/978-1-4939-2230-7_16.

DOI:10.1007/978-1-4939-2230-7_16

PMID:25502206

Abstract

Three-dimensional structures of proteins in solution can be calculated on the basis of conformational restraints derived from NMR measurements. This chapter gives an overview of the computational methods for NMR protein structure analysis highlighting recent automated methods for the assignment of NMR spectra, the collection of conformational restraints, and the structure calculation.

摘要

溶液中蛋白质的三维结构可以根据核磁共振测量得到的构象限制来计算。本章概述了核磁共振蛋白质结构分析的计算方法，重点介绍了最近用于核磁共振谱指派、构象限制收集和结构计算的自动化方法。