Here we describe our “mini aggressive sampling” approach, which brought us success in CAPRI55’s antibody-peptide target 🎯👇

MassiveFold: unveiling AlphaFold’s hidden potential with optimized and parallelized massive sampling Nature Computational Science 1. MassiveFold introduces an optimized, parallelized approach to enhance AlphaFold’s structure prediction, significantly reducing computational time for massive

2024 has been the most challenging year of my life due to a serious health challenge in my family. During this difficult time, these incredible people have been my rock. Thank you all for your support and camaraderie. I am proud to work alongside you. This post is for you! ❤️🍀🧿

The legendary EMBO Integrative Modeling Course is back! If you want to be in this picture in the 2025 edition, just go ahead and register at meetings.embo.org/event/25-biomo… (28 Sept – 03 Oct) In this edition, we have Kresten Lindorff-Larsen on board to properly explore biomolecular dynamics 💪

Towards a greener AlphaFold2 protocol for antibody-antigen modeling: Insights from CAPRI Round 55 1. This paper presents MinnieFold, a greener and more computationally efficient version of Wallner’s massive AlphaFold2 (AF2) sampling, designed to predict antibody-antigen

Just accepted for publication in Proteins! Congrats to busrasavas for her first first author paper! On the CAPRI55 set, we show that even with 95% reduced massive-AF2 (Wallner approach) sampling, you can still get good quality antibody-antigen complexes. For more 👇

We want awe. We want discovery. And we want them now! Huge thanks to Itai Yanai & Martin Lercher for the most enjoyable lecture on Night Science — a reminder that opennes lie at the heart of discovery!

Only a few days left to apply for our EMBO course with a great lineup of speakers and tutors! Please feel free to RT! Course website: meetings.embo.org/event/25-biomo… Organizers: myself, Alexandre Bonvin - also on Bluesky Arne Elofsson @arneelof.bsky.social Kresten Lindorff-Larsen Location: İBG

CASP is getting cut by NIH... 😢 (Anyone with extra funds wanna help support perhaps the most important competition of the century?) science.org/content/articl…

since (AI-generated) protein folding (videos) is solved, we now tackle protein conformational changes

from my limited experience this morning, an external "cat force field" is critical to getting correct dynamics. 😸 Left = without cat Right = with cat

🚀 Excited to share our article with Ezgi Karaca is now out in Communications Biology! We explored DNA readout rules of almost identical DNMT3A and DNMT3B (91% sequence similarity!), and we asked how can nearly the same proteins “see” DNA so differently? 🧬 nature.com/articles/s4200…

And the legacy continues ! 😊 Alexandre Bonvin - also on Bluesky Arne Elofsson @arneelof.bsky.social Kresten Lindorff-Larsen #EMBOIntegMod25 ! 🍀🧿