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Let me tell you all about an advanced AI algorithm I discovered a long time ago to speed up the hit-to-lead phase of projects. Algorithm: START 1. Drastically lower the bar for what is called a "lead" END

Another nice piece of work coming from the Mpro data XChem COVID Moonshot through a collaboration with Galaxy Project Björn Grüning Frank von Delft jcheminf.biomedcentral.com/articles/10.11…

I really like this tidy merger generated with Fragmenstein, but it has no close purchasable similars. Given that even searching with acenaphthylene is horrid too, I am guessing this cursed scaffold is every med/synth chemist's nightmare 😀

Lovely work, Michel Steinmetz at PSI Paul Scherrer Institut! Todalam, onlinelibrary.wiley.com/doi/10.1002/an…, a new and synthetically simple tubulin inhibitor, after just 2 rounds of chemistry from XChem hits - at that potency, you need SAR to be convincing, and that comes automagically from the merging.

A very proud moment for the OMass Therapeutics team! 🍾

Read our latest review to understand how native mass spectrometry is being used to characterize new potential drug targets and identify new starting points for small molecule therapeutics. Full review here: bit.ly/3yvrC81 #massspectrometry #drugdiscovery

We've been working on an idea for ~4 years and now it has finally come to life! Our 🚨preprint🚨 for Flexible Topology is up on ChemRxiv doi.org/10.26434/chemr…

Go and work with XChem! This is my old job, running the Fragalysis project. A great opportunity for anyone with an interest in driving FBDD forward through science, software, and strategy Frank von Delft Diamond Light Source vacancies.diamond.ac.uk/vacancy/senior…

Our CEO, @RosDeegan will be presenting at and attending a number of upcoming conferences and events this month. More details here: omass.com/2022/06/14/oma… BioIndustry Association (BIA) Oxford University Innovation #LeadershipSummit #ParliamentDay

Some great work from our PhD student Anna Carbery: Fragment Libraries Designed to Be Functionally Diverse Recover Protein Binding Information More Efficiently Than Standard Structurally Diverse Libraries doi.org/10.1021/acs.jm… Frank von Delft Oxford Protein Informatics Group (OPIG)

Updated with meeting details. Multicentre Cheminformatics meeting 30 Nov 2022. macinchem.org/blog/files/3a7… #cheminformatics

Research software engineers: come and work with me at OMass Therapeutics ! Please RT if you know anyone suitable :) omass.com/working-here/#…

Yeah! We smashed it ❤️ Great to work for a company that rewards and recognises hard work. Well done everyone 😁

And now we’re married! Matteo Ferla

Yes, this is exactly as big a deal as it sounds. And it includes cranking up XChem by another few gears - SERIOUSLY cool that it's we that get to do it!

Our Senior Director of Technology and Founder, Idlir Liko will be a keynote speaker at the British Mass Spectrometry Society Biomacromolecular Structure SIG Meeting taking place at the Uni of Birmingham on 10 Nov at 9:45 am.

It took a while but it's here: the Fragmenstein preprint! chemrxiv.org/engage/chemrxi… A big thank-you to everyone who helped in its creation, especially user feedback!

Fragment merging can be tough: open-source software Fragmenstein from University of Oxford and Diamond Light Source and elsewhere  suggests larger molecules that conserve binding elements of known fragments practicalfragments.blogspot.com/2025/02/stitch…