10 minutes of fame: Covid-19 moonshot ¶

Author: Paul Czodrowski
Date: 09.07.2021

http://www.czodrowskilab.org/	http://twitter.com/czodrowskipaul
http://www.czodrowskilab.org/music	http://github.com/czodrowskilab

fragalysis¶

For the analysis of MPro fragment crystal structures solved at the Diamond light source. But not only MPro x-rays are avaialable, but a huge selection of x-ray structures solved at the SGC (Structural Genomics Center) https://www.thesgc.org/

https://fragalysis.diamond.ac.uk/viewer/react/landing

fragalysis [email protected]
https://www.youtube.com/watch?v=LVWd50CgU4g

Manifold, Postera¶

The company www.postera.ai offers access to a synthesis planning tool which also shows compound availability and compound prizes.

www.postera.ai/manifold/

Covid19 Moonshot [email protected] dashboard¶

The design suggestions for novel MPro will be simulated through [email protected], what a blast for alchemical calculations!

My two cents¶

• fragalysis looks really powerful and can also be used beyond MPro which makes it attractive to us
• it would be worth a try to order custom synthesis at Postera