Multiscale molecular dynamics, biological membranes interactions, CNRS researcher, group leader at @cbitoulouse.bsky.social
Matthieu Chavent
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Streaming Molecular Dynamics Simulation Data for On-the-fly Processing and Analysis
arxiv.org/abs/2605.24271
🚀 Sponsorship opportunities still available
📍 Lyon, France | 14–16 October 2026
Registration opening soon. Stay tuned for further announcements!
#CGML2026 #MachineLearning #MolecularModeling #CoarseGrained #DrugDiscovery #Formulations #MaterialsScience
StruCloze: A Unified Framework for Backmapping and Inpainting Biomolecule Structures
doi.org/10.1021/acs....
Wu and Hegde annotate and analyze the topology of 4,863 human endoplasmic reticulum–inserted membrane proteins and their 20,546 transmembrane domains, showing that transmembrane domains inserted by different pathways can tolerate different biophysical properties. rupress.org/jcb/article/...
How does the mycobacterial vacuole go from damage that can still be repaired to full rupture? 👀
Our new preprint shows that EsxA and PDIM act sequentially: EsxA initiates repairable lesions, and PDIM helps push them past host repair capacity toward cytosolic escape.
doi.org/10.64898/202...
Only a small fraction of the data generated in state-of-the-art all-atom multi-microsecond molecular dynamics (MD) simulations is typically analyzed. With femtosecond integration steps, microsecond si...
Check out our new review article on intrinsically disordered #microproteins now out in @acs.org Biochemistry!
pubs.acs.org/doi/10.1021/...
A Perspective discusses challenges in macromolecular ensemble prediction and the methodological advances that are needed. @stephanieaw.bsky.social
www.nature.com/articles/s41...
Some very cool simulations, look at those little guys climb that ladder!
#MolecularNodes
Matthieu Chavent
What would happen if Darwin, Russell Wallace and Koch walked into a bar?
We present our new way to study mycobacteria, employing a macroevolution framework (species not strains). Possibilities are endless!! Thanks to Fernanda Subtil for pushing this.
elifesciences.org/articles/101...
Paulo C. T. Souza
Advances in genomics, proteomics, and bioinformatics have uncovered the existence of thousands of translated small open reading frames less than 100–150 codons in length that encode microproteins. In ...
Metabolites are ubiquitous in all living cells and are essential mediators of biochemical processes, serving either as substrates or as cofactors to enable reactions. Capturing this diversity in compu...
This Perspective discusses current challenges in macromolecular ensemble prediction and the infrastructure and methodological advances needed to overcome these barriers.
Using macroevolution, species not strains, uncovered important diversity in how mycobacteria respond to and resist antibiotics, revealing novel resistance determinants.
Excited to share this paper from @yiechanglin.bsky.social showing how lipids can move between bacterial membranes along the bridge like protein TamB. Also happy to be able to post the cool movie. 🎥🌟 #MDsimulations #StructuralBiology doi.org/10.1016/j.bp...
