Matthieu Montes

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

We can think about it 😁 thanks a lot Joao!

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

Yes, sorry. I couldn't edit the post so I have put the link in the discussion

Je peux pas éditer le post 😔 mais j'ai mis le lien en dessous

Frontiers | Interactive visualization of large molecular systems with VTX: example with a minimal whole-cell model VTX is an open-source molecular visualization software designed to overcome the scaling limitations of existing real-time molecular visualization software wh...

www.frontiersin.org/journals/bio...

GitHub - VTX-Molecular-Visualization/VTX Contribute to VTX-Molecular-Visualization/VTX development by creating an account on GitHub.

github.com/VTX-Molecula...

GitHub - VTX-Molecular-Visualization/VTX Contribute to VTX-Molecular-Visualization/VTX development by creating an account on GitHub.

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

And a super cool video produced with VTX by @maximemaria.bsky.social

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.

Combining Molecular Docking and Pharmacophore Models Predicts Ligand Binding of Endocrine-Disrupting Chemicals to Nuclear Receptors Nuclear receptors form a family of proteins capable of accommodating a wide variety of small molecules in their ligand binding domain, ranging from therapeutic compounds to endocrine-disrupting chemic...

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

Bon courage!

Interactive visualization of large molecular systems with VTX: example with a minimal whole-cell model VTX is an open-source molecular visualization software designed to overcome the scaling limitations of existing real-time molecular visualization software when handling massive molecular datasets. VTX...

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!

Rendering of the analytical SES of ribonuclease A (PDB ID 1DFJ) with the upcoming pathtracer prototype of VTX

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.

Not yet, due to opengl 4.5 that is not supported by Apple .. we will work during the upcoming year on a Vulkan version that should solve this matter

Efficient GPU computation of large protein Solvent-Excluded Surface - PubMed The Solvent-Excluded Surface (SES) is an essential representation of molecules which is massively used in molecular modeling and drug discovery since it represents the interacting surface between mole...

We have developed an analytical method to compute the ses that will be in the incoming v1 pubmed.ncbi.nlm.nih.gov/38512738/

VTX: Real-time high-performance molecular structure and dynamics visualization software Summary: VTX is a molecular visualization software capable to handle most molecular structures and dynamics trajectories file formats. It features a real-time high-performance molecular graphics engin...

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

image generated by @pltc.bsky.social

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