New preprint from our LED3 hub, now on ChemRxiv!

The labs of Sebastian Pomplun, Gerard van Westen and Laura Heitman at the Leiden Academic Centre for Drug Research with first author Sean M. McKenna present COMBINAUT: an automated parallel synthesis platform enabling rapid access to a 22.9M-member synthetically accessible chemical space for fast validation of virtual screening hits.

https://chemrxiv.org/doi/full/10.26434/chemrxiv.15000200/v1

#DrugDiscovery #Automation #VirtualScreening #MedicinalChemistry #HitDiscovery

We also have a new paper out this week: https://www.nature.com/articles/s41598-022-23264-z l

This report describes the start of a #DrugDiscovery programme - setting up assays, screening, crystallography. A lot of work goes into this #HitDiscovery phase and we feel it is often underreported, so great that Olivier, Maggie and team pulled this paper together.

Without this work, projects don’t get off the ground, so kudos to our #AssayDevelopment and #StructuralBiology colleagues!

#xray #bcl6 #hts #fragment