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