Charles University Structural Bioinformatics Group reposted
Charles University Structural Bioinformatics Group
Charles University Structural Bioinformatics Group
@cusbg.bsky.social
Research group at the intersection of structural bioinformatics 🧬 and machine learning 🤖. Developing http://prankweb.cz, http://apoholo.cz, https://rnacentral.org/r2dt Lab: bioinformatics.cuni.cz/cusbg Heads: @davhox.bsky.social & @majek.bsky.social
401 followers344 following30 posts
Charles University Structural Bioinformatics Group reposted
Artistic beauty of protein structures by @irinabezsonova.bsky.social
Excited to share that my 2025 collection of science-inspired drawings is now live on the Protein Data Bank (PDB) website. Thank you @rcsbpdb.bsky.social! It is free to explore and download. I’d love to hear what you think! pdb101.rcsb.org/sci-art/bezs...
Charles University Structural Bioinformatics Group reposted
Now published in NSMB! Paper: doi.org/10.1038/s415... Full PDF: rdcu.be/fhBtI Overview of additions since the preprint👇 (1/5)
Excited to share our latest preprint evaluating AlphaFold3, Boltz-1, Chai-1 and Protenix for predicting protein-ligand interactions, featuring our newly introduced benchmark dataset 🌹Runs N’ Poses🌹! www.biorxiv.org/content/10.1... 🧵👇 (1/n)
Charles University Structural Bioinformatics Group reposted
🌿 The Botanical Garden of Charles University’s Faculty of Science turns 250! Founded in 1775, it is one of Central Europe’s oldest university gardens. Join us for a special anniversary program 15–21 Sept 2025. 🎉 @unikarlova.cuni.cz @botanickazahradauk.bsky.social
Charles University Structural Bioinformatics Group reposted
today #3Dprint protein is ferritin (PDB: 6I36) available here: www.printables.com/model/141627...
Charles University Structural Bioinformatics Group reposted
Charles University Structural Bioinformatics Group reposted
We opened Day 2 of our #CECAM flagship workshop in Prague with the CECAM director Andrea Cavalli, highlighting steered #MD, dynamical docking & the complexity of binding energetics, and the challenges ahead. 🚀 #CECAMinPrague @iocbprague.bsky.social @cecamevents.bsky.social @iocbtech.bsky.social
Charles University Structural Bioinformatics Group reposted
CATH turns 30 years old 🥳 They celebrate with a Symposium on September 16th! I'll be presenting our work: "An Atlas of Energetic Evolutionary Constraints Across Protein Families" Unbelievable selection of speakers! So if you are around London, you can register to attend: tinyurl.com/2pnk8hj5
Charles University Structural Bioinformatics Group reposted
The first day of our bioML symposium at @iocbprague.bsky.social went very well. It is amazing to see how fast this field is moving forward. Thanks to everyone for the fantastic talks! 🤖🧬
Charles University Structural Bioinformatics Group reposted
🚀 GPU-accelerated docking to P2Rank-predicted pockets
I'm excited to share our new preprint: PocketVina — a fast, scalable, and accurate multi-pocket molecular docking method. Docking remains essential in early-stage drug discovery, but recent deep learning–based approaches still face limitations in generating... Thread - (1/n)
Charles University Structural Bioinformatics Group reposted
Fantastic to work with so many talented people! today at departmental conference of cell biology department of @sciencecharles.bsky.social . Many thanks to our guests from Israel for joining us and sharing their results and time with us
Charles University Structural Bioinformatics Group reposted
🚀 Our paper on the updated PrankWeb, a web app for protein binding site prediction using P2Rank, is out in @narjournal.bsky.social. Now with docking integration! 👨💻 Try it: prankweb.cz 📄 Paper: doi.org/10.1093/nar/... 💻 GitHub: github.com/cusbg/prankweb Developed at @cusbg.bsky.social
Charles University Structural Bioinformatics Group reposted
I am #exhilarated to share that our new paper "LIGYSIS-web: a resource for the analysis of protein-ligand binding sites" is now published in @narjournal.bsky.social! After almost two years of development and more than 600 commits, LIGYSIS-web is out! 📜 : tinyurl.com/utges-LIGYSI...
Charles University Structural Bioinformatics Group reposted
Join us for the next #Bioinformatics seminar hosted by @sciencecharles.bsky.social and @mff.unikarlova.cuni.cz. Nora Martin from CRG : “How does the structure of a genotype-phenotype map shape variation and evolutionary processes?”. 📅 Wed, Apr 30 🕕 17:20 bioinformatics.cuni.cz/seminar
Charles University Structural Bioinformatics Group reposted
Back in July 2023 we organized a small bioML symposium at @iocbprague.bsky.social, and it turned out to be a very pleasant and successful event. This summer we are following up with a great line-up of speakers. Please register for free, deadline May 30. tinyurl.com/bioMLPrague25
Charles University Structural Bioinformatics Group reposted
3DSIG has now joined BlueSky!! Follow us there to keep building a strong community around the fields of Structural Bioinformatics and Computational Biophysics!
💻Hello world! We are 3D-SIG: Structural Bioinformatics and Computational Biophysics, track of the International Society for Computational Biology (ISCB) @iscb.bsky.social 🙌
Charles University Structural Bioinformatics Group reposted
A new preprint from our lab at @fchupol.bsky.social
Pathogenicity Patterns in Cytochrome P450 Family https://www.biorxiv.org/content/10.1101/2025.03.30.646180v1
Charles University Structural Bioinformatics Group reposted
🧪🇨🇿 A reminder: there’s a starter pack with Czech science institutions and research labs. A bunch of new ones have joined Bluesky lately -- and some, like Charles University (@charlesuni.cuni.cz), have fully made the move here from the other place.
A starter pack with science institutions and research labs in Czech Republic. Let us know what is missing! go.bsky.app/Bjam2aQ
Charles University Structural Bioinformatics Group reposted
Charles University Structural Bioinformatics Group reposted
Joe et al. have a fresh preprint on the MARTINI simulations of the #ribosome. arxiv.org/abs/2503.21357
now we will move with bacterial ribosome by coarse grain simulations with Josef Cikhart from @mhko.bsky.social group at @vschtpraha.bsky.social
Charles University Structural Bioinformatics Group reposted
we continue 1st @elixircz.bsky.social PhD conference with keynote by Martin Čech from @iocbprague.bsky.social and Cesnet on usegalaxy.cz
Charles University Structural Bioinformatics Group reposted
1st @elixircz.bsky.social PhD conference at Telč on 27-28th March 2025 superthread.
Charles University Structural Bioinformatics Group reposted
🎉 #ELIXIRCZ celebrated 10 transformative years in life sciences! Thanks, everyone, for celebrating with us! 🥂 Cheers to a decade of growth & many more to come! #Science #Innovation #DataScience @elixir-europe.org www.elixir-czech.cz/news/10-year...
Charles University Structural Bioinformatics Group reposted
we continue 1st @elixircz.bsky.social PhD conference (I should made a hashtag - too late) with student presentations
Charles University Structural Bioinformatics Group reposted
We are grateful and fortunate to have Sameer Velankar, the head of @pdbeurope.bsky.social, to start first ever @elixircz.bsky.social phd conference. Thank you RSJ and @elixircz.bsky.social for general support!
Charles University Structural Bioinformatics Group reposted
Replying to @krapnik.bsky.social
we continue with keynote lecture by Sameer Velankar from @pdbeurope.bsky.social
Charles University Structural Bioinformatics Group reposted
1st @elixircz.bsky.social PhD conference just started with @majek.bsky.social invitation
Charles University Structural Bioinformatics Group reposted
Charles University Structural Bioinformatics Group reposted
🚀 Exciting news! We're organizing a @cecamevents.bsky.social Flagship Workshop on Quantum Chemistry in Drug Design in Prague, Sept 8–10, 2025! Join top experts from academia & industry. Few spots left for contributed talks! 📢 Apply now: www.cecam.org/workshop-det... #compchem #cadd #QM #CECAM
Charles University Structural Bioinformatics Group reposted
Charles University Structural Bioinformatics Group reposted
Happy to share our latest preprint. With NRGRank you can screen 1M in a day in a laptop (use our NEGSuite-Qt for that) - a billion compounds per day with our computational resources.
NRGRank: Coarse-grained structurally-informed ultra-massive virtual screening https://www.biorxiv.org/content/10.1101/2025.02.17.638675v1
Charles University Structural Bioinformatics Group reposted
Charles University Structural Bioinformatics Group reposted
@elixircz.bsky.social is celebrating 10th anniversary today! Jiri Vondrasek is in his summary acknowledging Janet Thornton and her contribution to founding of Elixir. Thank you!
Charles University Structural Bioinformatics Group reposted
Charles University Structural Bioinformatics Group reposted
🧪🧬🔬 Postdoc in Computational Structural Biology at the @biozentrum.unibas.ch & @sib.swiss in Basel, Switzerland. www.biozentrum.unibas.ch/open-positio... The position is initially funded for 3 years, possibility to start immediately. #StructurePrediction, #Bioinformatics, #Uniprot3D, #AI
Charles University Structural Bioinformatics Group reposted
🚨 Unravel BILLIONS of years of protein evolution! 🚨 How did protein structures emerge and evolve over deep time? Join @zachary-ardern in the next ProSE Seminar! 📅 March 11, 3PM GMT 🔗 tinyurl.com/prose-seminar2 #ProteinEvolution #StructuralBiology
Charles University Structural Bioinformatics Group reposted
ROCKET #Alphafoldology fitting to lowres CryoEM to get conformation along the way
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.
Charles University Structural Bioinformatics Group reposted
Counterintuitive
There are lots of hydrophobicity scales and perhaps the most well known and used is that from Kyte & Doolittle If you ever use that scale, I recommend reading the original paper and noting the authors' pragmatism and honesty about manual adjustments and using intuition doi.org/10.1016/0022...
Charles University Structural Bioinformatics Group reposted
Join us tomorrow to hear @peterskrinjar.bsky.social talk about 🌹 Runs N' Poses 🌹! Curious to hear your thoughts on how to keep up with benchmarking in this field.
We’re hosting @peterskrinjar.bsky.social for a webinar to discuss his latest paper “Have protein co-folding methods moved beyond memorization?”! Join live on Feb 21st at 11 AM ET. Register here: us06web.zoom.us/webinar/regi... Explore Runs N’ Poses on Polaris today: polarishub.io/benchmarks/p...