Katarina Elez
@katarinaelez.bsky.social
PhD student @ FU Berlin 🧑🏻💻 | Drug discovery, AI/ML & Structural bioinformatics
Reposted by Katarina Elez
Preprint update!!!
How do mutations impact protein function? The answer is key to understanding evolving pathogens, predicting drug resistance, and designing custom proteins.
www.biorxiv.org/content/10.1101/2024.09.20.614179v2
How do mutations impact protein function? The answer is key to understanding evolving pathogens, predicting drug resistance, and designing custom proteins.
www.biorxiv.org/content/10.1101/2024.09.20.614179v2
November 4, 2025 at 11:39 PM
Preprint update!!!
How do mutations impact protein function? The answer is key to understanding evolving pathogens, predicting drug resistance, and designing custom proteins.
www.biorxiv.org/content/10.1101/2024.09.20.614179v2
How do mutations impact protein function? The answer is key to understanding evolving pathogens, predicting drug resistance, and designing custom proteins.
www.biorxiv.org/content/10.1101/2024.09.20.614179v2
Reposted by Katarina Elez
(1/7)
Training biomolecular foundation models shouldn't be so hard. And open-source structure prediction is important. So today we're releasing two software packages: AtomWorks and RosettaFold3 (RF3)
[https://www.biorxiv.org/content/10.1101/2025.08.14.670328v2](www.biorxiv.org/content/10.1...)
Training biomolecular foundation models shouldn't be so hard. And open-source structure prediction is important. So today we're releasing two software packages: AtomWorks and RosettaFold3 (RF3)
[https://www.biorxiv.org/content/10.1101/2025.08.14.670328v2](www.biorxiv.org/content/10.1...)
Accelerating Biomolecular Modeling with AtomWorks and RF3
Deep learning methods trained on protein structure databases have revolutionized biomolecular structure prediction, but developing and training new models remains a considerable challenge. To facilita...
www.biorxiv.org
August 15, 2025 at 5:17 PM
(1/7)
Training biomolecular foundation models shouldn't be so hard. And open-source structure prediction is important. So today we're releasing two software packages: AtomWorks and RosettaFold3 (RF3)
[https://www.biorxiv.org/content/10.1101/2025.08.14.670328v2](www.biorxiv.org/content/10.1...)
Training biomolecular foundation models shouldn't be so hard. And open-source structure prediction is important. So today we're releasing two software packages: AtomWorks and RosettaFold3 (RF3)
[https://www.biorxiv.org/content/10.1101/2025.08.14.670328v2](www.biorxiv.org/content/10.1...)
Reposted by Katarina Elez
Our development of machine-learned transferable coarse-grained models in now on Nat Chem! doi.org/10.1038/s415...
I am so proud of my group for this work! Particularly first authors Nick Charron, Klara Bonneau, Aldo Pasos-Trejo, Andrea Guljas.
I am so proud of my group for this work! Particularly first authors Nick Charron, Klara Bonneau, Aldo Pasos-Trejo, Andrea Guljas.
Navigating protein landscapes with a machine-learned transferable coarse-grained model - Nature Chemistry
The development of a universal protein coarse-grained model has been a long-standing challenge. A coarse-grained model with chemical transferability has now been developed by combining deep-learning m...
doi.org
July 18, 2025 at 10:45 AM
Our development of machine-learned transferable coarse-grained models in now on Nat Chem! doi.org/10.1038/s415...
I am so proud of my group for this work! Particularly first authors Nick Charron, Klara Bonneau, Aldo Pasos-Trejo, Andrea Guljas.
I am so proud of my group for this work! Particularly first authors Nick Charron, Klara Bonneau, Aldo Pasos-Trejo, Andrea Guljas.
Reposted by Katarina Elez
Science’s 2024 Breakthrough of the Year is lenacapavir, an injectable drug that demonstrated remarkable success at preventing HIV infection with one shot every 6 months.
Learn more about this year's #BOTY and other big advances in science: scim.ag/3BrCtUn
Learn more about this year's #BOTY and other big advances in science: scim.ag/3BrCtUn
December 12, 2024 at 7:02 PM
Science’s 2024 Breakthrough of the Year is lenacapavir, an injectable drug that demonstrated remarkable success at preventing HIV infection with one shot every 6 months.
Learn more about this year's #BOTY and other big advances in science: scim.ag/3BrCtUn
Learn more about this year's #BOTY and other big advances in science: scim.ag/3BrCtUn
Reposted by Katarina Elez
Super excited to preprint our work on developing a Biomolecular Emulator (BioEmu): Scalable emulation of protein equilibrium ensembles with generative deep learning from @msftresearch.bsky.social ch AI for Science.
www.biorxiv.org/content/10.1...
www.biorxiv.org/content/10.1...
December 6, 2024 at 8:39 AM
Super excited to preprint our work on developing a Biomolecular Emulator (BioEmu): Scalable emulation of protein equilibrium ensembles with generative deep learning from @msftresearch.bsky.social ch AI for Science.
www.biorxiv.org/content/10.1...
www.biorxiv.org/content/10.1...
Reposted by Katarina Elez
Thrilled to announce Boltz-1, the first open-source and commercially available model to achieve AlphaFold3-level accuracy on biomolecular structure prediction! An exciting collaboration with Jeremy, Saro, and an amazing team at MIT and Genesis Therapeutics. A thread!
November 17, 2024 at 4:20 PM
Thrilled to announce Boltz-1, the first open-source and commercially available model to achieve AlphaFold3-level accuracy on biomolecular structure prediction! An exciting collaboration with Jeremy, Saro, and an amazing team at MIT and Genesis Therapeutics. A thread!
Reposted by Katarina Elez
Fresh off the presses:
In "Learning on compressed molecular representations" Jan Weinreich and I looked into whether GZIP performed better than Neural Networks in chemical machine learning tasks. Yes, you've read that right.
TL;DR: Yes, GZIP can perform better than baseline GNNs and MLPs. It can ..
In "Learning on compressed molecular representations" Jan Weinreich and I looked into whether GZIP performed better than Neural Networks in chemical machine learning tasks. Yes, you've read that right.
TL;DR: Yes, GZIP can perform better than baseline GNNs and MLPs. It can ..
Learning on compressed molecular representations
Last year, a preprint gained notoriety, proposing that a k-nearest neighbour classifier is able to outperform large-language models using compressed text as input and normalised compression distance (...
pubs.rsc.org
November 21, 2024 at 12:58 PM
Fresh off the presses:
In "Learning on compressed molecular representations" Jan Weinreich and I looked into whether GZIP performed better than Neural Networks in chemical machine learning tasks. Yes, you've read that right.
TL;DR: Yes, GZIP can perform better than baseline GNNs and MLPs. It can ..
In "Learning on compressed molecular representations" Jan Weinreich and I looked into whether GZIP performed better than Neural Networks in chemical machine learning tasks. Yes, you've read that right.
TL;DR: Yes, GZIP can perform better than baseline GNNs and MLPs. It can ..