Theoretical and computational advances in biomolecular NMR spectroscopy

被引：35

作者：

Clore, GM

Schwieters, CD

机构：

[1] NIDDK, Phys Chem Lab, NIH, Bethesda, MD 20892 USA

[2] NIH, Computat Biosci & Engn Lab, Ctr Informat Technol, Bethesda, MD 20892 USA

来源：

CURRENT OPINION IN STRUCTURAL BIOLOGY | 2002年 / 12卷 / 02期

关键词：

D O I：

10.1016/S0959-440X(02)00302-0

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Recent developments in experimental and computational aspects of NMR spectroscopy have had a significant impact on the accuracy and speed of macromolecular structure determination in solution, particularly with regard to systems of high complexity (such as protein complexes). These include experiments designed to provide long-range orientational and translational restraints, improvements in internal coordinate dynamics used for simulated annealing, and the development of database potentials of mean force to improve the description of the non-bonded contacts.

引用

页码：146 / 153

页数：8

共 67 条

[21]

CLORE GM, 2002, XPLOR NIH VERSION 1

[22] Measurement of proton, nitrogen, and carbonyl chemical shielding anisotropies in a protein dissolved in a dilute liquid crystalline phase [J].