Cheminformatician/computational-biochemist working on drug discovery (señor postdoc, CMD-PX / OPIG, University of Oxford) ⌬ ⚗️💻 Author of michelanglo.sgc.ox.ac.uk and Fragmensteinhttps://bsky.app/profile/matteoferla.bsky.socialhttps://bsky.app/profile/matteoferla.bsky.social/post/3m4icv2kcy22bGhoulish calculations? Sounds like a job for an RTX666631 Oct 2025 10:56 +0000at://did:plc:afcwyp5iiegbive4qactzyz7/app.bsky.feed.post/3m4icv2kcy22bhttps://bsky.app/profile/matteoferla.bsky.social/post/3lwmhppqay225I wrote a blogpost ( https://blog.matteoferla.com/2025/08/confabulating-crystal-lattice.html ) 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 #StructuralBiology17 Aug 2025 18:01 +0000at://did:plc:afcwyp5iiegbive4qactzyz7/app.bsky.feed.post/3lwmhppqay225https://bsky.app/profile/matteoferla.bsky.social/post/3lnxmipsox22eAs 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: https://www.blopig.com/blog/2025/04/ai-generated-linkers-a-tutorial/ 📚 #proteinengineering29 Apr 2025 15:40 +0000at://did:plc:afcwyp5iiegbive4qactzyz7/app.bsky.feed.post/3lnxmipsox22ehttps://bsky.app/profile/matteoferla.bsky.social/post/3limjj3c27s24Why use a polyglycine linker in 2025?!20 Feb 2025 14:41 +0000at://did:plc:afcwyp5iiegbive4qactzyz7/app.bsky.feed.post/3limjj3c27s24https://bsky.app/profile/matteoferla.bsky.social/post/3lgnhnhn5us2jSome 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 https://www.blopig.com/blog/2025/01/de-novo-protein-padlocks/ —what's the catch? Many26 Jan 2025 12:50 +0000at://did:plc:afcwyp5iiegbive4qactzyz7/app.bsky.feed.post/3lgnhnhn5us2jhttps://bsky.app/profile/matteoferla.bsky.social/post/3lfpoz2nha22aFragmenstein 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 https://doi.org/10.1186/s13321-025-00946-0 #chemsky #drugdiscovery14 Jan 2025 16:42 +0000at://did:plc:afcwyp5iiegbive4qactzyz7/app.bsky.feed.post/3lfpoz2nha22ahttps://bsky.app/profile/matteoferla.bsky.social/post/3lfb7lxdfsc2nThere 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. https://blog.matteoferla.com/2025/01/natural-products-and-drug-discovery.html #chembio #chemsky08 Jan 2025 22:29 +0000at://did:plc:afcwyp5iiegbive4qactzyz7/app.bsky.feed.post/3lfb7lxdfsc2nhttps://bsky.app/profile/matteoferla.bsky.social/post/3ldnp6pox4c2eIn an internal presentation today I had this comedy slide, which I am rather pleased with19 Dec 2024 10:49 +0000at://did:plc:afcwyp5iiegbive4qactzyz7/app.bsky.feed.post/3ldnp6pox4c2e