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Matteo Ferla

@matteoferla.bsky.social
79 followers 77 following 8 posts

Cheminformatician/computational-biochemist working on drug discovery (señor postdoc, CMD-PX / OPIG, University of Oxford) ⌬ ⚗️💻 Author of michelanglo.sgc.ox.ac.uk and Fragmenstein

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Matteo Ferla @matteoferla.bsky.social · 31/10/2025
Ghoulish calculations? Sounds like a job for an RTX6666
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Matteo Ferla @matteoferla.bsky.social · 17/08/2025
I wrote a blogpost ( blog.matteoferla.com/2025/08/conf... ) about a potential aid to crystallography thought up when I worked w/ @xchem.bsky.social: generating a fake crystal lattice from a protein model in order to design optimal crystal contacts with ProteinMPNN. #ProteinDesign #StructuralBiology
blog.matteoferla.com
Confabulating a crystal lattice
Matteo Ferla, a blog containing various tidbits of useful information, how-tos and what-ifs from biochemistry to Star Trek.
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Matteo Ferla @matteoferla.bsky.social · 29/04/2025
As my final task working in @opig.stats.ox.ac.uk & @cmd.ox.ac.uk I wrote a code-filled blogpost discussing what I did as a poweruser with RFdiffusion & co. to design inserts, linkers and more for specific problems to aid crystallography: www.blopig.com/blog/2025/04... 📚 #proteinengineering
blopig.com
AI generated linkers™: a tutorial | Oxford Protein Informatics Group
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Matteo Ferla @matteoferla.bsky.social · 20/02/2025
Why use a polyglycine linker in 2025?!
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Matteo Ferla @matteoferla.bsky.social · 26/01/2025
Some ideas are cool, but aren't easily doable, so I wrote a blog post about one: de novo binders that spontaneously form an irreversible isopeptide bond with their target protein www.blopig.com/blog/2025/01... —what's the catch? Many
de novo binder that forms an isopeptide bond
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Reposted by Matteo Ferla
Oxford Protein Informatics Group (OPIG) @opig.stats.ox.ac.uk · 15/01/2025
OPIG is now on Bluesky! Follow us for updates about the group's latest work, web app updates, and more. opig.stats.ox.ac.uk
opig.stats.ox.ac.uk
OPIG
Oxford Protein Informatics Group
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Matteo Ferla @matteoferla.bsky.social · 14/01/2025
Fragmenstein is finally published! ⌬🔩📗 This tool stitches together the atoms of parent hits and re-animates (minimises) them into a conformation close to the parents, preserving their interactions: a must for crystallography-driven drug discovery doi.org/10.1186/s133... #chemsky #drugdiscovery
doi.org
Fragmenstein: predicting protein–ligand structures of compounds derived from known crystallographic fragment hits using a strict conserved-binding–based methodology - Journal of Cheminformatics
Current strategies centred on either merging or linking initial hits from fragment-based drug design (FBDD) crystallographic screens generally do not fully leaverage 3D structural information. We show...
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Matteo Ferla @matteoferla.bsky.social · 08/01/2025
There has been great discussions here about natural products for drug discovery. I want to add my take: the biosynthesis of these compounds often evolved as deterrents to kill us while our physiology evolved to fight them. blog.matteoferla.com/2025/01/natu... #chembio #chemsky
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Matteo Ferla @matteoferla.bsky.social · 19/12/2024
In an internal presentation today I had this comedy slide, which I am rather pleased with
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