We have a 2+ years EU funded postdoc position with Pierre Poulain based in Paris to extend this project. Position can start beginning of 2025. Answer to this tweet if interested or contact me or Pierre Poulain

Nice idea to seek out simulation data on the web. My guesstimate is that the 14 TB of data found equates to about 14 milliseconds of simulation. This is based on our data for proteins of various sizes stored in xtc files without solvent.

Thrilled to announce that the #OLIVES Gō-like model for #Martini3 #proteins is now published in JCIM & JCTC Journals ! Excited to have been part of this nice collaboration with Kasper Pedersen, Luís Borges Araújo, Amanda Stange, Siewert-Jan Marrink and Birgit Schiøtt. pubs.acs.org/doi/10.1021/ac…

Yes, indeed!🙂 We are looking for #PhD candidates interested in #MD simulations and non-equilibrium #statmech methods are most welcome! #mirotubules #tau proteins MPI for Multidisciplinary Sciences #JobOpening #CYTAC Please apply! 📨

We are organizing a CECAM workshop on "Understanding Peripheral Protein-Membrane Interactions". Attending online is FREE, with registration by Sept. 18: lnkd.in/dQ7PBJYW Marta Filizola Gervasio's Research Group (Protein Dynamics) Linda Columbus 🏳️‍🌈 Matteo Dal Peraro Syma Khalid Nathalie Reuter VanniLab

Mesoscale Explorer molstar.org/me/ Paper out !! Excellent work with @asrmoin David S. Goodsell 🏳️‍🌈  and David Sehnal doi.org/10.1002/pro.51…

New articles out this week in The Journal of Physical Chemistry! This article becomes is the new citation for the current versions of the CHARMM program. What an incredible team of developers to be a part of. #compchem #OA pubs.acs.org/doi/10.1021/ac…

And I have a second one - updated tutorials for GROMACS version 2024! These are new and distinct from the other set of tutorials published a few years ago (those will get a refresh, too). I hope they are useful! #compchem #OA #GROMACS pubs.acs.org/doi/10.1021/ac…

A new tutorial serie from Justin Lemkul . Cannot express enough how much this helps the community. All my students start with Justin's tutorials - and I regularly doing these exercises to refresh my mind. 😁 Thank you so much Justin! 🙏

MD simulations remain poorly shared, deficiently reproducible, and devoid of history. Together with Luis Walter and @JFRudzinski, we built Martignac: a computational workflow manager for CG Martini arxiv.org/abs/2409.15478 🧵

Do you want to work at the interface of structural biology and #AI? We are #hiring Come to Paris for a CNRS 🌍 postdoc at Institut Pasteur, since 1887 funded by European Research Council (ERC) and co-supervised by @malletvincent Please RT!! #deeplearning #compbio More info here: research.pasteur.fr/b/vVT

This is now published in The Journal of Physical Chemistry ! 🥳 CBI Toulouse @IpbsToulouse CNRS Occitanie Ouest CNRS Biologie pubs.acs.org/doi/10.1021/ac…

Join us at Freie Universität as Post-Doc in molecular simulation of chemical reactions. Dive into rare events, machine-learned force fields & dynamical reweighting. 4 years, 100% TV-L. More details: bcp.fu-berlin.de/en/chemie/chem… #CompChem #machinelearning #postdoc

Happy to be back in Paris for few days for the International Symposium on Membrane/Protein Interactions voices.uchicago.edu/visualizing-me…

Looking for a M2 (or M1) intern for spring 2025 on "Computational investigation of the molecular mechanism of Ca2+-dependent allosteric activation of the EndoU ribonuclease". Please share with anyone who may be interested. sdrive.cnrs.fr/s/TzeJpne2aJqA… #compchem Institut de Biologie Physico-Chimique (IBPC) Paris

📢Hiring for a PhD position as part of #MSCA network of 17 students ComeInCell Want to manipulate #condensates💧& membranes with light🌈? Check out/apply: 👉bit.ly/4feLT4u The project includes secondments at Ganzinger Lab, Rossi Lab bit.ly/4hrJYel & Nature Communications