Bishoy Hakim,Fabio Dall&#x;Antonia,Johannes Dallmann et al.
Bishoy Hakim et al.
Large-scale photon and neutron (PaN) experiments generate vast amounts of valuable data, yet implementation of the FAIR principles (findable, accessible, interoperable and reusable) remains incomplete. Metadata catalogs are a key tool for a...
Droplet-on-demand tape drive and X-ray emission spectroscopy prototypes for time-resolved serial crystallography on VMXi at Diamond Light Source [0.03%]
Diamond光源处的VMXi上用于时间分辨连续晶体学的按需液滴磁带驱动器和X射线发射光谱仪原型机
Pierre Aller,Juan Sanchez-Weatherby,Abbey Telfer et al.
Pierre Aller et al.
Time-resolved X-ray crystallography is experiencing a resurgence, in part because of serial methods that readily allow scientists to create stop-motion movies of the macromolecular functions of photoactivation, enzyme-catalysed reactions an...
The use of machine learning interatomic potentials for the verification of experimental molecular crystal structures [0.03%]
基于机器学习的相互作用原子势能用于实验分子晶体结构验证
M Hušák,F Fňukal,J Čejka
M Hušák
A correctly solved crystal structure should agree with the experimental data, and its geometry should correspond to a local minimum on the potential energy surface (PES). The idea of verifying crystal structure solutions by comparing them w...
Richard Henderson,S Samar Hasnain
Richard Henderson
Single-particle cryoEM has made visualization of biological molecules and their complexes at high resolution possible without the need for crystallization. The last decade has seen a rapid growth in the number of structures determined by cr...
Quantifying optical scattering losses in pump-probe serial femtosecond crystallography experiments [0.03%]
皮秒泵浦探测X射线自由电子激光晶体学实验中的光学散射损耗量化研究
Thomas R M Barends,Alexander Gorel,Stanisław Niziński et al.
Thomas R M Barends et al.
Ultrafast pump-probe serial femtosecond crystallography (SFX) experiments are typically performed with extremely high excitation laser fluence to maximize the occupancy of the light-induced state. This has been justified by assuming that a ...
Gautam Radhakrishna Desiraju
Gautam Radhakrishna Desiraju
The field of structural chemistry has been significantly reshaped by the development of crystal engineering, a subject focused on the strategic design of molecular solids with specific properties. Central to this advancement is the concept ...
Towards light-coupled sample preparation for time-resolved cryoEM studies [0.03%]
朝向光耦合样品制备用于时间分辨低温EM研究
Kyprianos Hadjidemetriou,Sofia Jaho,Pierre Aller et al.
Kyprianos Hadjidemetriou et al.
The dynamic nature of protein and macromolecular complexes means that the capture of multiple sequential states along a reaction pathway can provide much greater insight into function than that obtained from a single static structure. We pr...
Cryo-EM analysis of cooperative conformational changes in the SARS-CoV-2 spike protein trimer [0.03%]
SARS-CoV-2刺突蛋白三聚体合作构象变化的低温电镜分析
Qiyu Wang,Spencer Cholak,Geoffrey Woollard et al.
Qiyu Wang et al.
The entry of SARS-CoV-2 into cells is mediated by a trimeric spike protein that utilizes its receptor-binding domain (RBD) to engage with the cell surface receptor ACE2, with each protomer capable of shuttling between an `up' conformation t...
Towards time-resolved MicroED grid preparation using mix-and-inject gas dynamic virtual nozzles [0.03%]
基于气体动力学虚拟喷嘴的混合与注入定时解析MicroED数据收集网格准备方法研究
Jacob A Summers,Niko W Vlahakis,Kara A Zielinski et al.
Jacob A Summers et al.
Recent progress in gas dynamic virtual nozzle (GDVN) technologies in combination with high-brilliance synchrotron and X-ray free-electron lasers (XFELs) has allowed the visualization of protein dynamics in crystallo by mixing macromolecular...
How cryoEM has advanced our understanding of bacteriophages and bacteriocins targeting Clostridioides difficile [0.03%]
单颗粒冷冻电镜在艰难梭菌噬菌体和杀菌素研究中的应用进展
Per A Bullough,Jason S Wilson,Hannah L Berry et al.
Per A Bullough et al.
We review the structural and functional characteristics of bacteriophages and bacteriocins (diffocins) that specifically target Clostridioides difficile, a significant healthcare concern due to its role in nosocomial infections. The advent ...