Comparison of side-chain dispersion in protein structures determined by cryo-EM and X-ray crystallography [0.03%]
基于低温电子显微镜和X射线晶体学测定的蛋白质结构中侧链展开性的比较
Ashraya Ravikumar,Mrugsen Nagsen Gopnarayan,Sriram Subramaniam et al.
Ashraya Ravikumar et al.
An evaluation of systematic differences in local structure and conformation in the interior of protein tertiary structures determined by crystallography and by cryo-electron microscopy (cryo-EM) is reported. The expectation is that any cons...
findMySequence: a neural-network-based approach for identification of unknown proteins in X-ray crystallography and cryo-EM [0.03%]
findMySequence：一种基于神经网络的X射线晶体学和冷冻电子显微镜中识别未知蛋白质的方法
Grzegorz Chojnowski,Adam J Simpkin,Diego A Leonardo et al.
Grzegorz Chojnowski et al.
Although experimental protein-structure determination usually targets known proteins, chains of unknown sequence are often encountered. They can be purified from natural sources, appear as an unexpected fragment of a well characterized prot...
Use of a miniature diamond-anvil cell in a joint X-ray and neutron high-pressure study on copper sulfate pentahydrate [0.03%]
一种用于联用X射线和中子研究硫酸铜五水合物的微型金刚石压腔的应用研究
Giulia Novelli,Konstantin V Kamenev,Helen E Maynard-Casely et al.
Giulia Novelli et al.
Single-crystal X-ray and neutron diffraction data are usually collected using separate samples. This is a disadvantage when the sample is studied at high pressure because it is very difficult to achieve exactly the same pressure in two sepa...
Unraveling the magnetic softness in Fe-Ni-B-based nanocrystalline material by magnetic small-angle neutron scattering [0.03%]
基于铁镍硼的纳米晶材料中磁软化的研究及其小角中子散射的研究
Mathias Bersweiler,Michael P Adams,Inma Peral et al.
Mathias Bersweiler et al.
Magnetic small-angle neutron scattering is employed to investigate the magnetic interactions in (Fe0.7Ni0.3)86B14 alloy, a HiB-NANOPERM-type soft magnetic nanocrystalline material, which exhibits an ultrafine microstructure with an average ...
Insights into molecular recognition from the crystal structures of p-tert-butyl-calix[6]arene complexed with different solvents [0.03%]
来自p-特丁基-calix[6]arene与不同溶剂复合物晶体结构的分子识别见解
Maura Malinska
Maura Malinska
Calixarenes are host molecules that can form complexes with one or more guest molecules, and molecular recognition in calixarenes can be affected by many factors. With a view to establishing molecular recognition rules, the host p-tert-buty...
Stochastic hydration of a high-nitro-gen-content molecular compound recrystallized under pressure [0.03%]
高压下高氮含量分子化合物的亚稳hydrate相随机成核及生长机制研究
Anna Olejniczak,Anna Katrusiak,Marcin Podsiadło et al.
Anna Olejniczak et al.
Partial hydration of organic compounds can be achieved by high-pressure crystallization. This has been demonstrated for the high-nitro-gen-content compound 6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine (C4H2N5Cl), which becomes partly hydrate...
Regioisomers of singly bridged calix[6]crown-6 and their heavy alkali metal complexes: a molecular baseball glove for caesium(I) [0.03%]
单桥环糊精冠醚-6的区域异构体及其与重碱金属形成的配合物：用于抓握铯(I)的分子棒球手套
Seulgi Kim,Jong Hwa Jung,Shim Sung Lee et al.
Seulgi Kim et al.
We report the formation of heavy alkali metal complexes of bicyclic host molecules including the caesium(I) complex that catches the central metal ion with the deep pocket of the host similar to a baseball glove. For this, three regioisomer...
Differences in thermal expansion and motion ability for herringbone and face-to-face π-stacked solids [0.03%]
之字型和面对面π堆积固体的热膨胀及运动能力差异
Xiaodan Ding,Ethan Zahid,Daniel K Unruh et al.
Xiaodan Ding et al.
A series of aromatic organic molecules functionalized with different halogen atoms (I/ Br), motion-capable groups (olefin, azo or imine) and molecular length were designed and synthesized. The molecules self-assemble in the solid state thro...
Efficient fitting of single-crystal diffuse scattering in interaction space: a mean-field approach [0.03%]
均场理论下单晶无序散射的高效拟合：在相互作用空间中
Ella M Schmidt,Johnathan M Bulled,Andrew L Goodwin
Ella M Schmidt
The diffraction patterns of crystalline materials with strongly correlated disorder are characterized by the presence of structured diffuse scattering. Conventional analysis approaches generally seek to interpret this scattering either atom...
Márcia Carvalho de Abreu Fantini,Cristiano Luis Pinto Oliveira,José Luiz de Souza Lopes et al.
Márcia Carvalho de Abreu Fantini et al.
This article summarizes developments attained in oral vaccine formulations based on the encapsulation of antigen proteins inside porous silica matrices. These vaccine vehicles show great efficacy in protecting the proteins from the harsh ac...