Ghoulish calculations? Sounds like a job for an RTX6666
31.10.2025 10:56
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Ghoulish calculations? Sounds like a job for an RTX6666
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
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
Why use a polyglycine linker in 2025?!
de novo binder that forms an isopeptide bond
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
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
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
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
In an internal presentation today I had this comedy slide, which I am rather pleased with