Reciprocal Space Station
@rs-station.bsky.social
📤 169
📥 156
📝 15
Landing soon: An academic consortium for open-source, statistical structural biology!
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!
4 days ago
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reposted by
Reciprocal Space Station
OpenBind
11 days ago
#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
#OpenBind
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reposted by
Reciprocal Space Station
about 2 months ago
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...
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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 ...
https://www.buzzsprout.com/2313153/episodes/18880338
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reposted by
Reciprocal Space Station
Luca Jovine
about 2 months ago
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
add a skeleton here at some point
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Trying out
ROCKET
for structure refinement? Ask the developers questions or share feedback on the
RS-Station forum
! 💬🚀
about 1 month ago
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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
add a skeleton here at some point
about 2 months ago
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Did you know you can log into the
RS-Station forum
with your ORCID?
about 2 months ago
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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...
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LLMs reproduce CCP4 AceDRG… · project-gemmi gemmi · Discussion #401
Let's kill the Monomer Library I'll describe here why and how I'm developing gemmi drg which aims to exactly reproduce part of AceDRG's functionality Here is how restraints are prepared and used in...
https://github.com/project-gemmi/gemmi/discussions/401
2 months ago
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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...
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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.
https://doi.org/10.1126/sciadv.adj2921
5 months ago
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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.
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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
https://www.youtube.com/playlist?list=PLchtTr-74Q0IizBqpCBT-43MWgShCkmsp
6 months ago
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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...
).
add a skeleton here at some point
6 months ago
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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...
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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...
https://www.biorxiv.org/content/10.1101/2020.09.22.308593v1
7 months ago
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Where has this awesome space group symmetry visualizer been all my life?
spacegroups.symotter.org
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Jmol - Space Group Symmetry
https://spacegroups.symotter.org/
8 months ago
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Hot off the presses: a molecular movie of ion conduction in a potassium channel using RS software!
doi.org/10.1016/j.ce...
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Redirecting
https://doi.org/10.1016/j.cell.2024.12.006
over 1 year ago
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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...
).
over 1 year ago
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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...
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2024 SSRL LCLS User Workshop Alisia Fadini
YouTube video by Reciprocal Space Station Crew
https://www.youtube.com/watch?v=XlQR4ss4CsQ
over 1 year ago
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