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![image-3.png](attachment:image-3.png)

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!


https://fah-public-data-covid19-moonshot-sprints.s3.us-east-2.amazonaws.com/dashboards/sprint-5-dimer/sprint-5-dimer-x11498-dimer-neutral/index.html

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
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