Computational approaches streamlining drug discovery

AV Sadybekov, V Katritch - Nature, 2023 - nature.com
Computer-aided drug discovery has been around for decades, although the past few years
have seen a tectonic shift towards embracing computational technologies in both academia …

Serial femtosecond crystallography

TRM Barends, B Stauch, V Cherezov… - Nature reviews Methods …, 2022 - nature.com
With the advent of X-ray free-electron lasers (XFELs), new, high-throughput serial
crystallography techniques for macromolecular structure determination have emerged …

Bespoke library docking for 5-HT2A receptor agonists with antidepressant activity

AL Kaplan, DN Confair, K Kim, X Barros-Álvarez… - Nature, 2022 - nature.com
There is considerable interest in screening ultralarge chemical libraries for ligand discovery,
both empirically and computationally,,–. Efforts have focused on readily synthesizable …

Common activation mechanism of class A GPCRs

Q Zhou, D Yang, M Wu, Y Guo, W Guo, L Zhong, X Cai… - Elife, 2019 - elifesciences.org
Class A G-protein-coupled receptors (GPCRs) influence virtually every aspect of human
physiology. Understanding receptor activation mechanism is critical for discovering novel …

A compact and cost-effective hard X-ray free-electron laser driven by a high-brightness and low-energy electron beam

E Prat, R Abela, M Aiba, A Alarcon, J Alex, Y Arbelo… - Nature …, 2020 - nature.com
We present the first lasing results of SwissFEL, a hard X-ray free-electron laser (FEL) that
recently came into operation at the Paul Scherrer Institute in Switzerland. SwissFEL is a very …

Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser

Y Kang, XE Zhou, X Gao, Y He, W Liu, A Ishchenko… - Nature, 2015 - nature.com
G-protein-coupled receptors (GPCRs) signal primarily through G proteins or arrestins.
Arrestin binding to GPCRs blocks G protein interaction and redirects signalling to numerous …

Beyond crystallography: Diffractive imaging using coherent x-ray light sources

J Miao, T Ishikawa, IK Robinson, MM Murnane - Science, 2015 - science.org
X-ray crystallography has been central to the development of many fields of science over the
past century. It has now matured to a point that as long as good-quality crystals are …

Linac coherent light source: The first five years

C Bostedt, S Boutet, DM Fritz, Z Huang, HJ Lee… - Reviews of Modern …, 2016 - APS
A new scientific frontier opened in 2009 with the start of operations of the world's first x-ray
free-electron laser (FEL), the Linac Coherent Light Source (LCLS), at SLAC National …

[HTML][HTML] Structural insights into the human D1 and D2 dopamine receptor signaling complexes

Y Zhuang, P Xu, C Mao, L Wang, B Krumm, XE Zhou… - Cell, 2021 - cell.com
Summary The D1-and D2-dopamine receptors (D1R and D2R), which signal through G s
and G i, respectively, represent the principal stimulatory and inhibitory dopamine receptors …

International Union of Basic and Clinical Pharmacology. CX. Classification of receptors for 5-hydroxytryptamine; pharmacology and function

NM Barnes, GP Ahern, C Becamel, J Bockaert… - Pharmacological …, 2021 - Elsevier
HT receptors expressed throughout the human body are targets for established therapeutics
and various drugs in development. Their diversity of structure and function reflects the …