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Posts by Elena Rogoulenko

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🚀 Excited to release BoltzDesign1!

✨ Now with LogMD-based trajectory visualization.
🔗 Demo: rcsb.ai/ff9c2b1ee8
Feedback & collabs welcome! 🙌

🔗: GitHub: github.com/yehlincho/Bo...
🔗: Colab: colab.research.google.com/github/yehli...
@sokrypton.org @martinpacesa.bsky.social

10 months ago 54 17 1 0

The biggest reason we don't actually have a "replication crisis" is that science is a process of advancing what's working, and not fixing what hasn't. Sometimes it's slow, and we backtrack a bit. But it's never stalled.

That said, the strain on scientific publishing is generating a lot of crap.

10 months ago 37 11 1 0
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GitHub - cxli233/FriendsDontLetFriends: Friends don't let friends make certain types of data visualization - What are they and why are they bad. Friends don't let friends make certain types of data visualization - What are they and why are they bad. - GitHub - cxli233/FriendsDontLetFriends: Friends don't let friends make certain ty...

Just a nice reminder! 🧪🧬🖥️ I found this GitHub very useful: github.com/cxli233/Frie...

10 months ago 38 15 2 0
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OpenAI just updated ChatGPT to be able to use RDKit, a cheminformatics Python package.

OpenAI's president says this makes ChatGPT "useful for scientific work across health, biology, and chemistry," but it is hilariously still not good at chemistry (🧵)

#chemsky #AI ⚗️🧪🖥️

10 months ago 81 26 8 9
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The human proteome with direct physical access to DNA Zero-distance photo-crosslinking reveals direct protein-DNA interactions in living cells, enabling quantitative analysis of the DNA-interacting proteome on a timescale of minutes with single-amino-aci...

🚨Our new paper is online🚨
We use zero-distance⚡photo-crosslinking⚡to reveal direct protein-DNA interactions in living cells, enabling quantitative analysis of the DNA-interacting proteome on a timescale of minutes. #DNA #Chromatin #Proteomics
www.cell.com/cell/fulltex...

11 months ago 85 39 2 3

I was starting to think I was the only one having this self-forwarding glitch 😆. @bsky.app really needs to sort it out.

11 months ago 0 0 0 0
Video

Excited to share our preprint on the molecular architecture of heterochromatin in human cells 🧬🔬w/ @jpkreysing.bsky.social, @johannesbetz.bsky.social,
@marinalusic.bsky.social, Turoňová lab, @hummerlab.bsky.social @becklab.bsky.social @mpibp.bsky.social

🔗 Preprint here tinyurl.com/3a74uanv

1 year ago 359 141 12 20

If anyone has any tips for fellowships or grants or giftfunds our group can apply for (in the US), please send our way.

So far, we've not had much luck in raising funds... 💰 In this relatively popular area, so I feel like I'm doing something wrong 😅

1 year ago 25 10 5 0
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Movies as paper titles:

Splinter, M. et al. (1990). "Traditional ninjitsu training increases overall survivability (OS) in an adolescent cohort of wood turtles, Glyptemys insculpta, exposed to ionizing radiation in the New York sewer system." Rept Gen. 90(6):407-409.

1 year ago 446 121 17 23
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Structure-guided discovery of viral proteins that inhibit host immunity Large-scale, structure-guided computational pipeline sifts through millions of phage proteins to identify those that bind and antagonize host immune proteins. Detected proteins are shown to inhibit no...

Our paper out @CellCellPress: Structure guided discovery of viral proteins that inhibit host immunity

Congrats Erez Yirmiya, Azita Leavitt, Gil Amitai, our collaborators at the Kranzusch lab, and coauthors

A 🧵 1/10

www.cell.com/cell/abstrac...

1 year ago 201 74 1 7

The Rey lab at @pasteur.fr is happy to join the BlueSky community.
Please repost and consider adding us to #StructuralBiology and #Virology packs

1 year ago 29 9 1 3

Any recommendations for a membrane dye compatible with HCR/smFISH?

1 year ago 8 6 5 1
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The strain on scientific publishing Abstract. Scientists are increasingly overwhelmed by the volume of articles being published. The total number of articles indexed in Scopus and Web of Science has grown exponentially in recent years; ...

The growth in the number of articles outpaces the growth of the scientific community. Changing policies might address the issue, but can it really make an impact?
Is it possible we’re reaching a critical point and a revolution in scientific publishing practices?

direct.mit.edu/qss/article/...

1 year ago 0 0 0 0
Machine Learning Applied to Macromolecular Structure and Function | Keystone Symposia Join us at the Keystone Symposia on Machine Learning Applied to Macromolecular Structure and Function, March 2025, in Keystone, with field leaders!

I'm organizing a Keystone symposium, along with Liz Kellogg and @possuhuanglab.bsky.social, on machine learning and macromolecules. Mar 23-26 in Keystone, Colorado. We have a great lineup and deadlines are coming up soon!

1 year ago 43 17 0 1
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Over 60 German universities quit social media platform X Platform accused of failing to uphold values of diversity, freedom, and scholarship - Anadolu Ajansı

Over 60 German universities quit social media platform X.

Platform accused of failing to uphold values of diversity, freedom, and scholarship.

1 year ago 13792 3075 403 265
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Do you remember rewinding the tape with a pen? I truly miss how physical the art was, and how hard we had to work sometimes to get access to it. Really made you appreciate things more.

1 year ago 21 0 3 0
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MIT researchers introduce Boltz-1, a fully open-source model for predicting biomolecular structures Researchers in the MIT Jameel Clinic for Machine Learning in Health developed a fully open-source biomolecular structure prediction model that achieves state-of-the-art performance, at the level of Al...

MIT researchers introduce Boltz-1, a fully open-source model for predicting biomolecular structures

With models like AlphaFold3 limited to academic research, the team built an equivalent alternative, to encourage innovation more broadly

www.eurekalert.org/news-release...

1 year ago 84 28 0 0
Post-doctoral Positions

Wanted: Talented applicants to study intercellular
mRNA trafficking in vitro and in vivo
and its application in RNA therapeutics
Relevant works:

Haimovich et al. 2017 PNAS http://www.pnas.org/content/114/46/E9873.full 

Dasgupta et al. 2023 eLife  https://elifesciences.org/articles/83584

Haimovich et al. 2024 bioRxiv https://www.biorxiv.org/content/10.1101/2024.11.06.622258v1

Contact:
Prof. Jeffrey Gerst
Dept. of Molecular Genetics
jeffrey.gerst@weizmann.ac.il
www.weizmann.ac.il/molgen/Gerst/

Post-doctoral Positions Wanted: Talented applicants to study intercellular mRNA trafficking in vitro and in vivo and its application in RNA therapeutics Relevant works: Haimovich et al. 2017 PNAS http://www.pnas.org/content/114/46/E9873.full Dasgupta et al. 2023 eLife https://elifesciences.org/articles/83584 Haimovich et al. 2024 bioRxiv https://www.biorxiv.org/content/10.1101/2024.11.06.622258v1 Contact: Prof. Jeffrey Gerst Dept. of Molecular Genetics jeffrey.gerst@weizmann.ac.il www.weizmann.ac.il/molgen/Gerst/

💥 Reminder: 💥
We are still looking for a postdoc (we actually have enough funds for two!) to work on this promising project.
Details in the ad and the alt text
🧪 🧬 🔬 🐁
#RNASky #RNABiology #Cytoskel #TunnelingNanotubes

1 year ago 15 6 0 1
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MD simulations of K+ ions permeation through the MthK potassium channel, done at +150 mV. We developed and applied optimized ion parameters within the Electronic Continuum Correction (ECC) framework. The simulated current quantitatively matches the experimental one.

www.biorxiv.org/content/10.1...

1 year ago 106 17 4 3
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AMARO: All Heavy-Atom Transferable Neural Network Potentials of Protein Thermodynamics
A novel machine-learning-based force field for protein thermodynamics. It uses an all-heavy-atom approach without hydrogens to simplify simulations while maintaining key dynamics.
pubs.acs.org/doi/10.1021/...

1 year ago 84 17 3 1

Although reweighted ABSINTH was calibrated based on experimental data, it was not the approach I had in mind.
I believe this manuscript is the perfect answer for my question, thank you!
(and thanks for joining in)

1 year ago 0 0 0 0

Thank you for the detailed answer!
Do you think that the data from your experimental setup can be directly used to train DNNs, similar to @alexholehouse.bsky.social ALBATROSS, or @lindorfflarsen.bsky.social CALVADOS (which were trained on experimental data but through CG simulations)?

1 year ago 0 0 1 0

🙋‍♀️

1 year ago 1 0 1 0

Very interesting paper!
Do you think using only one peptide and mutating it incrementally can suggest additional size-sequence dependencies?

1 year ago 0 0 1 0
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I almost exclusively use ChimeraX, which gives me the FOMO on not figuring out #MolecularNodes

1 year ago 1 0 1 0

Hey, @bsky.app, @support.bsky.team how about a #CatchThemAll tab in the profile listing all the starter packs the profile is a part of?

1 year ago 0 0 0 0

This is fascinating! It seems that NovumRNA might not only function as a standalone tool for designing treatments but could also be valuable for understanding why certain treatments may have been ineffective. Could it potentially be integrated into standard analysis protocols in drug testing?

1 year ago 0 0 1 0
PPI Challenge | dickinson-group

Looks like Bryan Dickinson isn’t here yet so I’m cross posting his challenge:

“if you or someone you know thinks they can actually predict PPIs, prove it. Here is a link to our blinded protein sequence data”
dickinsonlab.uchicago.edu/ppi-challenge

1 year ago 50 26 3 4

Hi Bluesky! I made a 3D chromatin starter pack.
Let me know if you would like to be added.
go.bsky.app/6tTQdqQ

1 year ago 84 41 41 0
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Skipping events impose repeated binding attempts: profound kinetic implications of protein–DNA conformational changes Abstract. The kinetics of protein–DNA recognition, along with its thermodynamic properties, including affinity and specificity, play a central role in shap

Check out my paper with @koby_group on how proteins can get fooled by DNA conformational changes and miss their binding site, published in @NAR_open

#DNA #Proteins #compbio

1 year ago 9 1 0 0