A predicted model-aided one-step classification-multireconstruction algorithm for X-ray free-electron laser single-particle imaging [0.03%]
一种预测模型辅助一步分类重构算法用于X射线自由电子激光单颗粒成像
Zhichao Jiao,Zhi Geng,Wei Ding
Zhichao Jiao
Ultrafast, high-intensity X-ray free-electron lasers can perform diffraction imaging of single protein molecules. Various algorithms have been developed to determine the orientation of each single-particle diffraction pattern and reconstruc...
Crossing length scales: X-ray approaches to studying the structure of biological materials [0.03%]
跨越长度尺度：利用X射线研究生物材料结构的方法
Tilman A Grünewald,Marianne Liebi,Henrik Birkedal
Tilman A Grünewald
Biological materials have outstanding properties. With ease, challenging mechanical, optical or electrical properties are realised from comparatively `humble' building blocks. The key strategy to realise these properties is through extensiv...
Solvent organization in the ultrahigh-resolution crystal structure of crambin at room temperature [0.03%]
室温下超高清晶胞结构中crambin的溶剂组织情况
Julian C H Chen,Miroslaw Gilski,Changsoo Chang et al.
Julian C H Chen et al.
Ultrahigh-resolution structures provide unprecedented details about protein dynamics, hydrogen bonding and solvent networks. The reported 0.70 Å, room-temperature crystal structure of crambin is the highest-resolution ambient-temperature s...
Structural characterization of TIR-domain signalosomes through a combination of structural biology approaches [0.03%]
结合结构生物学方法对TIR结构域信号体的结构表征
Akansha Bhatt,Biswa P Mishra,Weixi Gu et al.
Akansha Bhatt et al.
The TIR (Toll/interleukin-1 receptor) domain represents a vital structural element shared by proteins with roles in immunity signalling pathways across phyla (from humans and plants to bacteria). Decades of research have finally led to iden...
Structure-property relationship of a complex photoluminescent arylacetylide-gold(I) compound. I: a pressure-induced phase transformation caught in the act [0.03%]
复杂发光芳基乙炔-金(I)化合物的结构性能关系。第I部分：捕捉压力诱导相变的过程
Róża Jastrzębska,Tomasz Poręba,Federico Cova et al.
Róża Jastrzębska et al.
A pressure-induced triclinic-to-monoclinic phase transition has been caught `in the act' over a wider series of high-pressure synchrotron diffraction experiments conducted on a large, photoluminescent organo-gold(I) compound. Here, we descr...
On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors [0.03%]
基于多极散射因子的金属配合物三维电子衍射结构优化
Laura Pacoste,Vladislav Mikhailovich Ignat&#x;ev,Paulina Maria Dominiak et al.
Laura Pacoste et al.
This study examines various methods for modelling the electron density and, thus, the electrostatic potential of an organometallic complex for use in crystal structure refinement against 3D electron diffraction (ED) data. It focuses on mode...
CheckMyMetal (CMM): validating metal-binding sites in X-ray and cryo-EM data [0.03%]
验证X射线和冷冻电镜数据中的金属结合位点：CheckMyMetal(CMM)
Michal Gucwa,Vanessa Bijak,Heping Zheng et al.
Michal Gucwa et al.
Identifying and characterizing metal-binding sites (MBS) within macromolecular structures is imperative for elucidating their biological functions. CheckMyMetal (CMM) is a web based tool that facilitates the interactive validation of MBS in...
Phase quantification using deep neural network processing of XRD patterns [0.03%]
基于XRD图谱的深度神经网络相定量方法
Titouan Simonnet,Sylvain Grangeon,Francis Claret et al.
Titouan Simonnet et al.
Mineral identification and quantification are key to the understanding and, hence, the capacity to predict material properties. The method of choice for mineral quantification is powder X-ray diffraction (XRD), generally using a Rietveld re...
Binding structures of SERF1a with NT17-polyQ peptides of huntingtin exon 1 revealed by SEC-SWAXS, NMR and molecular simulation [0.03%]
尺寸排阻耦合小角度X射线散射、核磁共振及分子模拟揭示的SERF1a与亨廷顿蛋白外显子1片段NT17-polyQ肽结合结构
Tien Chang Lin,Orion Shih,Tien Ying Tsai et al.
Tien Chang Lin et al.
The aberrant fibrillization of huntingtin exon 1 (Httex1) characterized by an expanded polyglutamine (polyQ) tract is a defining feature of Huntington's disease, a neurodegenerative disorder. Recent investigations underscore the involvement...
Bridging length scales in hard materials with ultra-small angle X-ray scattering - a critical review [0.03%]
超小型角X射线散射在硬材料长度尺度关联中的应用及展望——批判性评述
Fan Zhang,Jan Ilavsky
Fan Zhang
Owing to their exceptional properties, hard materials such as advanced ceramics, metals and composites have enormous economic and societal value, with applications across numerous industries. Understanding their microstructural characterist...