The upcoming subatomic resolution revolution

被引:2
|
作者
Cachau, Raul E. [1 ]
Zhu, Jianghai [1 ]
Nicklaus, Marc C. [2 ]
机构
[1] Leidos Biomed Inc, Adv Biomed Computat Sci, Frederick Natl Lab Canc Res, Ft Detrick, MD 21702 USA
[2] NCI, Chem Biol Lab, Frederick, MD 21702 USA
基金
美国国家卫生研究院;
关键词
CHARGE-DENSITY ANALYSIS; NEUTRON CRYSTALLOGRAPHY; DATA-BANK; RAY; PROTONATION; REFINEMENT; SCATTERING; COMPLEX; DETAILS; MODEL;
D O I
10.1016/j.sbi.2019.05.013
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
Subatomic resolution macromolecular crystallography has been revealing the most fascinating details of macromolecular structures for many years. This most extreme form of macromolecular crystallography is going through rapid changes. A new generation of superbrilliant X-ray sources and detectors is facilitating the rapid acquisition of high-quality datasets. Equally important, a new breed of methods and highly integrated advanced computational tools for structure refinement and analysis is poised to change the way we use subatomic resolution data and reposition high-resolution macromolecular crystallography in medicinal chemistry studies. Subatomic resolution macromolecular crystallography may soon be a routine source of detailed molecular information besides precise geometries, including binding energies and other chemical descriptors, opening new possibilities of application.
引用
收藏
页码:53 / 58
页数:6
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