This is the future, the way real proteins work to process information and energy -- we are looking forward to seeing experimental (wet-lab) validation of the designs!
Binder design has come of age thanks to generative models—but how can we access the wider array of dynamic, multistate protein functions, so elegantly employed by nature?
@mihirbafna14 and I are excited to share SwitchCraft, a framework for designing such functions. (1/7)
AlphaFold-like models such as Boltz-2 and AlphaFold3 learn powerful priors over structures from PDB. But how can we make them aware of new X-ray crystallography data?
Introducing CrystalBoltz: end-to-end X-ray structure determination via experiment-guided diffusion.
1/4 🧵
What's the future of structural biology look like? Our very own reciprocal astronaut Alisia Fadini recently joined Jay Chodaparambil, @AdamsCioaba , @RoehmRobin and Derek Low for a panel on the future of SBDD in Boston at #IBA2026 to discuss exactly that!
Amazing work from the #openbind team -- first data and model release from the world's biggest structure generating initiative.
We're looking forward to working together to get those datasets modeled as quickly, automatically, and accurately as possible!
https://t.co/lMVPEgyaHV
Want to steer structure predictions to explain data?
Recirpocal astronauts @hlws_bot@mhli41 and coauthors are pushing the frontier with EmbedOpt, showing that not all steerings strategies are made equal!
We, @hlws_bot@PilarCossio2@JiequnH, are sharing the official code release for EmbedOpt for seamless inference-time steering of protein diffusion models at https://t.co/iw12evQHeu,
featuring:
✨ Tutorial on a real CryoEM map (EMDB-63136) (check out the animation below!).
📦 Environment locked with pixi for zero-headache reproducibility.
🛠️ Fully compatible with the new Protenix 2.0 codebase.
📊 All scripts to reproduce the paper's benchmark results are included out-of-the-box.
We are also proud to host this under the Reciprocal Space Station (RSS, @open_rss)—our growing hub for open-source structural biology software! 🌌
Paper: https://t.co/ftdr0hA5Wx
We, @hlws_bot@PilarCossio2@JiequnH, are sharing the official code release for EmbedOpt for seamless inference-time steering of protein diffusion models at https://t.co/iw12evQHeu,
featuring:
✨ Tutorial on a real CryoEM map (EMDB-63136) (check out the animation below!).
📦 Environment locked with pixi for zero-headache reproducibility.
🛠️ Fully compatible with the new Protenix 2.0 codebase.
📊 All scripts to reproduce the paper's benchmark results are included out-of-the-box.
We are also proud to host this under the Reciprocal Space Station (RSS, @open_rss)—our growing hub for open-source structural biology software! 🌌
Paper: https://t.co/ftdr0hA5Wx
Yet another reminder that structural biology has crossed the single-structure frontier.
Really cool work from our friends at #Columbia showing how a surprising amount of relevant structural diversity can be coaxed out of OpenFold3.
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
Trying out ROCKET (https://t.co/pgsQzSdlya) for structure refinement? Ask the developers questions or share feedback on the RS-Station forum (https://t.co/MsbLxQt2s7)! 💬🚀
ROCKET-fueled refinement? That's on-brand, along with bad space-themed puns and other cool software projects at the frontier of structural biology.
🚀 ROCKET source code: https://t.co/4S6E2cDfcm
1/🧑🚀 More projects: https://t.co/eY3hJqowlj
Structural biology is in an era of dynamics & assemblies but turning raw experimental data into atomic models at scale remains challenging.
@mhli41 and I present ROCKET🚀: an AlphaFold augmentation that integrates crystallographic and cryoEM/ET data with room for more! 1/14.
Structural biology is in an era of dynamics & assemblies but turning raw experimental data into atomic models at scale remains challenging.
@mhli41 and I present ROCKET🚀: an AlphaFold augmentation that integrates crystallographic and cryoEM/ET data with room for more! 1/14.