Jack Stubbs,Theo Hornsey,Niall Hanrahan et al.
Jack Stubbs et al.
Serial crystallography requires large numbers of microcrystals and robust strategies to rapidly apply substrates to initiate reactions in time-resolved studies. Here, we report the use of droplet miniaturization for the controlled productio...
Edward N Baker
Edward N Baker
Researchers have long sought to `see' proteins and other macromolecules in motion, to better understand their functions. Technological developments, notably advances in serial crystallography, are now making these dreams a reality, heraldin...
Characterizing self-assembled structures made with magnetic Janus nanoparticles [0.03%]
用磁性两面纳米粒子制成的自组装结构的特征分析
Elizabeth Blackburn
Elizabeth Blackburn
Small-angle X-ray scattering has revealed how magnetic Janus particles pair up in solutions in small and large magnetic fields. ...
Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica [0.03%]
香豆素衍生物的共晶：对抗MIL耐药的热带利什曼原虫的抗利什曼原虫共晶的有效方法
Muhammad Shahbaz,Saba Farooq,M Iqbal Choudhary et al.
Muhammad Shahbaz et al.
Leishmaniasis is a neglected parasitic tropical disease with numerous clinical manifestations. One of the causative agents of cutaneous leishmaniasis (CL) is Leishmania tropica (L. tropica) known for causing ulcerative lesions on the skin. ...
Persistence of atoms in molecules: there is room beyond electron densities [0.03%]
分子中原子的持久性：电子密度之外仍有空间
María Menéndez-Herrero,Ángel Martín Pendás
María Menéndez-Herrero
Evidence that the electronic structure of atoms persists in molecules to a much greater extent than has been usually admitted is presented. This is achieved by resorting to N-electron real-space descriptors instead of one- or at most two-pa...
Structural analysis of nanocrystals by pair distribution function combining electron diffraction with crystal tilting [0.03%]
结合电子衍射与晶体倾斜的成对分布函数对纳米晶进行结构分析
Linshuo Guo,Shitao Wu,Zhengyang Zhou et al.
Linshuo Guo et al.
As an important characterization method, pair distribution function (PDF) has been extensively used in structural analysis of nanomaterials, providing key insights into the degree of crystallinity, atomic structure, local disorder etc. The ...
Gerard J Kleywegt,Paul D Adams,Sarah J Butcher et al.
Gerard J Kleywegt et al.
In January 2020, a workshop was held at EMBL-EBI (Hinxton, UK) to discuss data requirements for the deposition and validation of cryoEM structures, with a focus on single-particle analysis. The meeting was attended by 47 experts in data pro...
Marina Galchenkova,Alexandra Tolstikova,Bjarne Klopprogge et al.
Marina Galchenkova et al.
Serial crystallography (SX) has become an established technique for protein structure determination, especially when dealing with small or radiation-sensitive crystals and investigating fast or irreversible protein dynamics. The advent of n...
Yuji Takiguchi,Daisuke Nakane,Takashiro Akitsu
Yuji Takiguchi
This paper uses deep learning to present a proof-of-concept for data-driven chemistry in single-molecule magnets (SMMs). Previous discussions within SMM research have proposed links between molecular structures (crystal structures) and sing...
Crystal structure of vancomycin bound to the resistance determinant D-alanine-D-serine [0.03%]
万古霉素结合耐药性决定因子D-丙氨酸-D-丝氨酸的晶体结构
Jee Hoon Park,Rachel E Reviello,Patrick J Loll
Jee Hoon Park
Vancomycin is a glycopeptide antibiotic that for decades has been a mainstay of treatment for persistent bacterial infections. However, the spread of antibiotic resistance threatens its continued utility. In particular, vancomycin-resistant...