Researcher. Interested in molecular biophysics using ML + protein structure experiments @Columbia University
Alisia Fadini
Statistical crystallography as a route to understanding protein dynamics! 1,146 crystal structures of SARS-CoV-2 Mpro reveal correlated motions connecting the dimer interface to the active site. Great to see this work out
@tjlane47.bsky.social .
Link: rdcu.be/fgzPF
Access alternate functional conformations encoded in AlphaFold’s latent space in a few GPU minutes 👇 We also introduce a novel supervised transfer task: train once on a source (GPCR/kinase/transporter) and apply across the family. Work led by Minji!
The more challenging targets CASP gets, the more the structural biology community will learn!
Celebrating #BiophysicsWeek T&C partnered with Phase Space Invaders podcast: Robert Best @sonyahanson.bsky.social @xuhuihuangchem.bsky.social and host @milosz-wieczor.bsky.social Episode 32: Driving the Future of Biophysics: What’s Next in Theory and Computation?
www.buzzsprout.com/2313153/epis...
What's the future of structural biology look like? Our very own reciprocal astronaut @alisiafadini.bsky.social recently joined Jay Chodaparambil, Melanie Adams-Cioaba, Robin Roehm and @dereklowe.bsky.social for a panel on the future of SBDD in Boston at #IBA2026 to discuss exactly that!
#OpenBind announces its first data drop marking a major milestone for AI‑Enabled #DrugDiscovery! It’s the first initiative to generate open, AI‑ready datasets for protein–drug complexes, produced continuously & at industrial scale to enable the next generation of #AI models. https://loom.ly/eIrsqqg
Equivariance is dead! 😢
Or is it? 😈
Genie 3 is out! Our latest protein design model achieves SoTA results for binder design and motif scaffolding, greatly improving on BindCraft and Proteina-Complexa.
It does so using all-atom SE(3)-equivariance based on a branched polymer representation👇
Alisia Fadini
Alisia Fadini
With the convergence of data, computing power, and new methods, computational biology is at its most exciting moment. At PSI, we're asking the leading researchers in the field to discover where we're ...
Introducing Genie 3, a generative protein model that substantially advances the state-of-the-art for binder design, increasing in silico success rates by up to 20x on hard multimeric targets. It also debuts a form of inference-time scaling unobserved in other design models. 🧵1/8
The CASP experiment is about to start - and is still short on challenging prediction targets. Ligand complexes, RNA, …
Video
We introduce ConforNets, a mechanism for conformational control in AlphaFold3 models
- SoTA at producing diverse conformations on every multistate benchmark (N=104)
- Novel capability: transfer state from one protein to another
Outperforms BioEmu, ConforMix and AFsample3
🧵1/8
Video
Yeqing Lin
Torsten Schwede
Minji Lee
Is #AI hitting a plateau in structure prediction? Help us find out at CASP17! 🧪🧬
Calling for Targets: Immune Complexes, protein - ligand complexes, RNA/DNA, conformational ensembles, membrane proteins, viral origins, and large complexes.
The Rule of Thumb: If AF3 can’t model it, we want it.
