And the legacy continues! 😊 @amjjbonvin.bsky.social @bioinfo.se @lindorfflarsen.bsky.social #EMBOIntegMod25 ! 🍀🧿

And we're off

Going to Izmir for the meetings.embo.org/event/25-bio... I will talk on monday about interactive molecular visualization and simulation methods! See you there! Thanks to the organizers for the invitation! @ezgikaraca.bsky.social @amjjbonvin.bsky.social @bioinfo.se @lindorfflarsen.bsky.social

A junior chair professor position in computer science / chemoinformatics / structural bioinformatics is available in my former team in CNAM, Paris, France Please contact Nathalie Lagarde for more details ([email protected])

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-bio... Organizers: myself, @amjjbonvin.bsky.social @bioinfo.se @lindorfflarsen.bsky.social Location: www.ibg.edu.tr

New paper out www.frontiersin.org/journals/bio... VTX is available at github.com/VTX-Molecula... @cg-martini.bsky.social @janstevens.bsky.social @maximemaria.bsky.social @sguionni.bsky.social @pltc.bsky.social @qubit-pharma.bsky.social

New publication out! doi.org/10.1093/bioi... VTX is open source and freely accessible for non commercial use! github.com/VTX-Molecula... Builds available at vtx.drugdesign.fr

1/3 #compchem Preprint: "Pushing the Accuracy Limit of Foundation Neural Network Models with Quantum Monte Carlo Forces & Path Integrals" 💫: arxiv.org/abs/2504.07948 An end-to-end multi-level exascale strategy to produce highly accurate quantum chemistry datasets (energies & forces): DFT/QMC/sCI.

New paper out pubs.acs.org/doi/abs/10.1...

Talked about VTX and UDock at the Scripps yesterday, thanks @ludovicautin.bsky.social for the invitation and to Stefano Forli, Arthur Olson and Michel Sanner for the warm welcome and the great discussions! Next stop, Chicago!

Presenting UDock2 and recent developments on VTX at the APS meeting in Anaheim! Very rich interactions, thanks to the organizers for the invitation!

Exciting day yesterday at Mizzou where I presented our recent advances in molecular simulation and visualization and had super cool exchanges with the faculty and students in physics, comp sci and biochemistry departments. Thanks to Prof Xiaoqing Zou for the invitation! Next stop Anaheim

New pre-print from the team! Interactive visualization of large molecular systems with VTX: example with a minimal whole-cell model from @cg-martini.bsky.social arxiv.org/abs/2503.07181 VTX is available on GitHub github.com/VTX-Molecula... and at vtx.drugdesign.fr

Presented UDock and VTX today at Loria in Nancy, thanks Yasaman Karami and Ahmed Khakzad for the kind invitation!

New visual of our work in progress on VTX. Illustration of the analytical SES of ribonuclease A (PDB ID 1DFJ) rendered with the upcoming pathtracer of VTX. The Analytical SES is generated with the method described in 10.1109/TVCG.2024.3380100 that will be available in an upcoming version of VTX.

New pre-print from the team! arxiv.org/abs/2501.12750 More news (and illustrations/videos) incoming about current developments ! VTX is available on GitHub github.com/VTX-Molecula... and at vtx.drugdesign.fr

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-bio... Organized by myself & @amjjbonvin.bsky.social & @arneelof.bsky.social & @lindorfflarsen.bsky.social

Detailed thread about the amazing work of @pltc.bsky.social about future representations and renderings that will be available in the upcoming version of VTX

VTX on the cover of ChemMedChem!

Back from Limoges and the excellent PhD thesis of Cyprien Plateau-Holleville who notably developed a super efficient meshless representation of the SES for large molecular systems hal.science/hal-04550117 that will be available in the upcoming version of VTX vtx.drugdesign.fr