KanagaVijayan Dhanabalan,YiYang Cheng,Trung Thach et al.
KanagaVijayan Dhanabalan et al.
Sialic acids play crucial roles in cell surface glycans of both eukaryotic and prokaryotic organisms, mediating various biological processes, including cell-cell interactions, development, immune response, oncogenesis and host-pathogen inte...
In some cases more complicated approaches to refinement of macromolecular structures are not necessary [0.03%]
在某些情况下，对大分子结构进行细化不需要采用复杂的办法
Zbigniew Dauter,Alexander Wlodawer
Zbigniew Dauter
The manuscript `Modeling a unit cell: crystallographic refinement procedure using the biomolecular MD simulation platform Amber' presents a novel protein structure refinement method claimed to offer improvements over traditional techniques ...
Crystallographic phase identifier of a convolutional self-attention neural network (CPICANN) on powder diffraction patterns [0.03%]
基于粉末衍射图谱的晶相卷积自注意力神经网络分类器(CPICANN)
Shouyang Zhang,Bin Cao,Tianhao Su et al.
Shouyang Zhang et al.
Spectroscopic data, particularly diffraction data, are essential for materials characterization due to their comprehensive crystallographic information. The current crystallographic phase identification, however, is very time consuming. To ...
Comprehensive encoding of conformational and compositional protein structural ensembles through the mmCIF data structure [0.03%]
通过mmCIF数据结构对构象和组成蛋白质结构集合进行全面编码
Stephanie A Wankowicz,James S Fraser
Stephanie A Wankowicz
In the folded state, biomolecules exchange between multiple conformational states crucial for their function. However, most structural models derived from experiments and computational predictions only encode a single state. To represent bi...
Bridging the microscopic divide: a comprehensive overview of micro-crystallization and in vivo crystallography [0.03%]
跨越微观裂隙：微结晶和体内晶体学的全面综述
Leonard Michel Gabriel Chavas,Fasséli Coulibaly,Damià Garriga
Leonard Michel Gabriel Chavas
A series of events underscoring the significant advancements in micro-crystallization and in vivo crystallography were held during the 26th IUCr Congress in Melbourne, positioning microcrystallography as a pivotal field within structural bi...
Relating solvatochromism and solvatomorphism in organic dyes using high pressure [0.03%]
利用高压研究有机染料的溶剂变色和溶剂异构化的关系
Elena Boldyreva
Elena Boldyreva
By using complementary experimental methods including in situ high-pressure single-crystal X-ray diffraction and UV-Vis spectroscopy, the intricate connection between solvatochromism and solvatomorphism has been elucidated in a recent publi...
David R Allan
David R Allan
From its conception, X-ray crystallography has provided a unique understanding of the structure, bonding and electronic state of materials, which, in turn, unlocks a means of examining the properties and function of crystalline systems. Usi...
Chromic and dynamic: soft crystals of platinum(II) complexes pave the way for multi-responsive materials [0.03%]
多彩且动态的软晶体：Pt(II)配合物的多彩动态软晶体铺平了多响应材料的道路
Gonzalo Campillo-Alvarado
Gonzalo Campillo-Alvarado
The development of smart, stimuli-responsive materials has received increased attention in the past decade for their applications as sensing technologies. This commentary discusses a timely topical review by Kato [(2024). IUCrJ, 11, 442-452...
Susan A Bourne
Susan A Bourne
Recent studies published in the Chemistry and crystal engineering section of IUCrJ emphasize developments both in methodology and techniques as well as the diverse range of classes of compounds being studied and of problems being tackled. ...
High-accuracy measurement, advanced theory and analysis of the evolution of satellite transitions in manganese Kα using XR-HERFD [0.03%]
利用XR-HERFD高精度测量和分析锰Kα卫星线系的精细结构
Daniel Sier,Jonathan W Dean,Nicholas T T Tran et al.
Daniel Sier et al.
Here, the novel technique of extended-range high-energy-resolution fluorescence detection (XR-HERFD) has successfully observed the n = 2 satellite in manganese to a high accuracy. The significance of the satellite signature presented is man...