Crystallographic Structure Refinement in a Nutshell

机译：壳状结构的晶体学细化

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摘要

The objective of these notes is to provide a general overview of modern crystallographic structure refinement. No specific or technical details are presented, but concepts only. However, references are provided to the relevant literature for those who desire to learn more.

机译：这些说明的目的是概述现代晶体学结构。没有提出具体或技术上的细节，而只是概念。但是，为那些希望了解更多信息的人提供了相关文献的参考。

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来源
《Advancing methods for biomolecular crystallography》|2012年|211-219|共9页
会议地点 Erice(IT)
作者
Pavel V. Afonine; Paul D. Adams;
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作者单位

Lawrence Berkeley National Laboratory, One Cyclotron Road, MS64R0121, Berkeley, CA 94720, USA;

Lawrence Berkeley National Laboratory, One Cyclotron Road, MS64R0121, Berkeley, CA 94720, USA;

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原文格式 PDF
正文语种 eng
中图分类
关键词
Crystallographic structure refinement; TLS; ADP; Twinning; Maximum-likelihood; Real-space;

机译：晶体结构细化； TLS; ADP；孪生;最大似然;实空间;
入库时间 2022-08-26 14:11:19

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1. Allostery in Coagulation Factor VIIa Revealed by Ensemble Refinement of Crystallographic Structures [J] . Sorensen Anders B., Madsen Jesper J., Frimurer Thomas M., Biophysical Journal . 2019,第10期

机译：凝血因子viia的古代植物揭示了晶体结构的精细化
2. Improved Crystallographic Structures Using Extensive Combinatorial Refinement [J] . Jerome C. Nwachukwu, Mark R. Southern, James R. Kiefer, Structure . 2013,第11期

机译：使用广泛的组合精制改进的晶体结构
3. Refinement strategies for fullerene structures: use of local, non-crystallographical point group symmetry [J] . Shopova D, Panthofer M, Petricek V, Zeitschrift fur Kristallographie: International Journal for Structural, Physical, and Chemical Aspects of Crystalline Materials . 2007,第10期

机译：富勒烯结构的细化策略：使用局部非晶体点群对称性
4. TORSION ANGLE REFINEMENT AND DYNAMICS AS A TOOL TO AID CRYSTALLOGRAPHIC STRUCTURE DETERMINATION [C] . Ralf W. Grosse-Kunstleve, Nigel W. Moriarty, Paul D. Adams DETC2009;ASME international design engineering technical conferences;Computers and information in engineering conference;CIE2009;International conference on multibody systems, nonlinear dynamics and control . 2010

机译：扭转角修正和动力学作为辅助确定晶体结构的工具
5. X-RAY CRYSTALLOGRAPHIC STUDIES OF POLYSACCHARIDE STRUCTURES USING LEAST-SQUARES REFINEMENT PROCEDURES. [D] . GARDNER, KENNCORWIN HANCOCK. 1974

机译：使用最小二乘法精修程序对多糖结构进行X射线晶体学研究。
6. Allostery in Coagulation Factor VIIa Revealed by Ensemble Refinement of Crystallographic Structures [O] . Anders B. Sorensen, Jesper J. Madsen, Thomas M. Frimurer, 2019

机译：凝集因子VIIa的变构显示结晶结构的整体精细化。
7. How to avoid overfitting in refinement of structures with approximately non-crystallographic symmetry. High-resolution structure refinement of glutamine synthetase reveals evidence for homotropic cooperative binding [O] . G. M. U. Pfluegl, H. Gill, D. Eisenberg 1996

机译：如何避免在具有大致非晶体对称性的结构中改进结构的过度装备。谷氨酰胺合成酶的高分辨率结构细节揭示了均匀合作结合的证据

Crystallographic Structure Refinement in a Nutshell

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