Role of Divalent Ions in Membrane Models of Polymyxin-Sensitive and Resistant Gram-Negative Bacteria #MolecularDynamics pubs.acs.org/doi/10.1021/acs… @LabVacha @RivelTimothee @CEITEC_Brno #JCIM Vol65 Issue3 #compchem

Free Energy of Membrane Pore Formation and Stability from Molecular Dynamics Simulations #MolecularDynamics pubs.acs.org/doi/10.1021/acs… @RivelTimothee @DenysBiriukov @LabVacha @CEITEC_Brno #JCIM Vol65 Issue2 #compchem

These two works now have their great covers as well 🙂

📗 #PublicationsOfTheWeek: "Free Energy of Membrane Pore Formation and Stability from Molecular Dynamics Simulations" in @JCIM_JCTC ➡️ See more: pubs.acs.org/doi/10.1021/acs… #CEITECScience @LabVacha @DenysBiriukov

Third, @RivelTimothee and @DenysBiriukov presented new collective variables to study the energetics of lipid membrane pores. pubs.acs.org/doi/10.1021/acs… Good job!

Я — чарівниця🪄 Ізюму і відкриваю збір на дрова для людей цього міста Харківщини Збір командний, моя частина збору 🎯 — 50000 грн. Проблема з паливними матеріалами у місті величезна. Придбаємо 100 тонн 🪵 брикетів руф та доставимо. Ми потрібні людям в Ізюмі. Посилання на 🫙⬇️:

Do you want to be part of the next revolution? We are opening soon a full-time position for #PLUMED software development based at @Sissaschool. Starting date March 1st, 2023, more info & updates at github.com/plumed/opening-20… . Please RT!

Last publication with @SavenkoMariia (Christophe Ramseyer's group, @Chrono_env) showing that supported #lipid systems reorganize continuously following the hydrophilicity of the #substrate. #MDsimulations #MolecularDynamics #CompChem #SLB #SAM pubs.acs.org/doi/10.1021/acs…

A 4-months funded internship for master's students is available in the group of C. Ramseyer (France) to study the interactions between antimicrobial peptides and membranes of Gram negative bacteria #MolecularDynamics #compchem filesender.renater.fr/?s=dow…

Christmas came early for us. We were awarded by ERC Consolidator Grant from @ERC_Research. erc.europa.eu/news-events/ma…

In autumn we welcomed new members - postdocs Mehrnoosh Khodam Hazrati and Timothée Rivel, also a PhD student Sofia Blasco.

#compchem Good read : Membrane permeability of small molecules from unbiased molecular dynamics simulations doi.org/10.1063/5.0013429

Our work from Andricioaei group at @UCIChemistry on "Weighted Ensemble Milestoning" is now online and has been selected as 'Editor's Pick' in the Journal of Chemical Physics! This is my first publication from my PhD! aip.scitation.org/doi/10.106… @WestpaSoftware

And now we definitely know that Phospholipid distribution in the cytoplasmic membrane of Gram-negative bacteria is highly asymmetric, dynamic, and cell shape-dependent @ScienceAdvances advances.sciencemag.org/cont…

I just put that there...

If you want to read about the #permeation of the #anticancer cisplatin through the plasma membrane : rdcu.be/b2BPR #molecularDynamics #compchem #biophysics