1/ We're excited to announce that @rs-station.bsky.social is joining the Open Molecular Software Foundation @omsf.io!

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

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...

Episode 32 - Robert Best, Sonya Hanson, Xuhui Huang: Driving the Future of Biophysics. What’s Next in Theory and Computation? - Phase Space Invaders (ψ)

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 ...

buzzsprout.com

Very happy to have had a chance to attack an initially very low-resolution #cryo-EM map with #ROCKET! Thank you again @alisiafadini.bsky.social and all other co-authors of this important work, which truly shows the power of combining experimental structural biology and #AI inference. rdcu.be/fa9YH

Alisia Fadini@alisiafadini.bsky.social · 4mo ago

ROCKET 🚀 inference-time optimization of AlphaFold to fit structural data is published! rdcu.be/fa9YH Since our preprint, we’ve pushed it to regimes where other methods break: low resolution, weak signal, real experimental edge cases. Here’s what we learned: 1/15

Trying out ROCKET for structure refinement? Ask the developers questions or share feedback on the RS-Station forum! 💬🚀

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: github.com/rs-station/r... 1/🧑‍🚀 More projects: rs-station.github.io

Alisia Fadini@alisiafadini.bsky.social · last yr.

Structural biology is in an era of dynamics & assemblies but turning raw experimental data into atomic models at scale remains challenging. @minhuanli.bsky.social and I present ROCKET🚀: an AlphaFold augmentation that integrates crystallographic and cryoEM/ET data with room for more! 1/14.

Did you know you can log into the RS-Station forum with your ORCID?

Gemmi developer used LLMs to port ACEDRG. ACEDRG generates stereochemical restraints for small molecules and is a veritable minefield of super-technical edge cases and gotchas. Fascinating conversation here: github.com/project-gemm...

New paper from Hekstra, Wang, et al. shows how to extract more signal from crystallography data using purely reciprocal space arguments. See applications to metalloproteins, drug fragment screening, and time-resolved crystallography! doi.org/10.1126/scia...

Sensitive detection of structural dynamics using a statistical framework for comparative crystallography

Statistical modeling of similarity between crystallographic datasets strongly improves detection of structural dynamics.

doi.org

Check out this [workshop](www.youtube.com/playlist?lis...) from reciprocal astronauts @minhuanli.bsky.social, Doris Mai, and Luis Aldama. Six invited speakers discuss the state of the art in modeling structural biology data.

Building a General Inference Engine for Molecular Structures and Ensembles - YouTube

Workshop hosted by Doris Mai, Luis Aldama, and Minhuan Li at the 2025 SSRL/LCLS Users' Meeting, SLAC National Accelerator Laboratory

youtube.com

Congrats to reciprocal astronauts Fadini and Lane on their new publication ( bsky.app/profile/alis...)! Check out their project on the RS-Station GitHub (github.com/rs-station/m...).

Alisia Fadini@alisiafadini.bsky.social · 8mo ago

A huge thanks to the team: TJ Lane, Virginia Apostolopoulou and Jasper van Thor, and to @rs-station.bsky.social for supporting the project! You can check out the full paper here: www.nature.com/articles/s42... or try it on your data: github.com/rs-station/m... 8/8

Check out this thoughtful pre-print about colormaps in structural biology! I'm way late to the party here, but good work, Clemons lab! Saladi et al. 2020. doi.org/10.1101/2020...

Structural biologists, let’s mind our colors

In structural biology, most figures of macromolecules are aimed at those well-versed in structure, requiring prior familiarity with scales and commonly used color schemes. Yet, as structural biology b...

biorxiv.org

Where has this awesome space group symmetry visualizer been all my life? spacegroups.symotter.org

Hot off the presses: a molecular movie of ion conduction in a potassium channel using RS software! doi.org/10.1016/j.ce...

The RS crew is putting together a crystallography forum page (rs-station.discourse.group). Fill out this short survey to indicate your interest and provide feedback (forms.gle/p3xA2RaSr2wa...).

Check out an exciting talk from crew-member Alisia Fadini about integrating AlphaFold / OpenFold with X-ray Structure refinement in her project Rocket 🚀, a collaboration with Minhuan Li! "AlphaFold as a Prior: Guiding Protein Predictions with Experimental Data" www.youtube.com/watch?v=XlQR...

2024 SSRL LCLS User Workshop Alisia Fadini

YouTube video by Reciprocal Space Station Crew

youtube.com