New preprint: “When lipids embrace RNA”
www.biorxiv.org/content/10.6...
Using multiscale simulations (🍸 #Martini + constant-pH MD), we show that:
• Local pKa ≠ global pKa
• Endosomal escape is limited by persistent protonation.
#LNP #MolecularDynamics
13.02.2026 20:32 — 👍 17 🔁 5 💬 0 📌 0
Very happy to see our recent work featured on the cover of the Journal of Chemical Theory and Computation 🎉
A long journey with many people involved — grateful to everyone who helped make this happen.
Paper: pubs.acs.org/doi/10.1021/...
@pubs.acs.org #MyACSCover #JCTC #Martini3
27.01.2026 09:59 — 👍 8 🔁 1 💬 0 📌 0
New on the Martini webportal (cgmartini.nl/docs/contact...): acknowledgment of all the people who contribute to the development. The list is still growing - if you feel your name should be added please let us know.
18.12.2025 09:41 — 👍 11 🔁 2 💬 0 📌 0
YouTube video by TheHITSters
HITS-SIMPLAIX Colloquium: Rommie Amaro on Computational Microscopy for In Situ Molecular Dynamics
Ever wondered what microscopic passengers you send out when you talk or sing? 🗣️💨
Rommie Amaro showed how viruses and more hitch a ride and how data-centric simulations give us atomic-scale views of these tiny travelers.
Ready to zoom in? Watch now on YouTube: www.youtube.com/watch?v=96KH...
04.12.2025 09:13 — 👍 8 🔁 3 💬 0 📌 0
Try out the code for yourself:
💻 github.com/wilsonjcarte...
27.10.2025 07:56 — 👍 3 🔁 1 💬 0 📌 0
Cool stuff. Has it been tested for Martini3 proteins?
07.07.2025 05:22 — 👍 0 🔁 0 💬 1 📌 0
All day I dream about science!
Computational chemistry, machine learning, electronic structure.
https://margraf.uni-bayreuth.de
PhD student @univgroningen | Computational biophysicist | CG Martini
Computational biochemist (ligand binding kinetics, crowding)
Junior group leader at the Technical University Berlin
Associate editor at the Journal of Chemical Information and Modeling
Brazilian in Germany
she/her; I use computers to study chemistry! Junior Professor in the Institute of Physical Chemistry at Albert-Ludwigs Universität Freiburg!
Oscillating between ticks and tocks. Circadian computational biologist now moving to the other side of Science, starting a new editorial career in Nature Communications
Prof Biomolecular Simulations Uni Mainz. Disordered proteins, nucleic acids and their dynamics, complexes and phase-separated condensates. Integrating simulations and experiments.
Scientist & Scuba Diver - I love theoretical physics, sharks, and pygmy seahorses - http://www.instagram.com/clementicecilia - http://www.physik.fu-berlin.de/en/einrichtungen/ag/ag-clementi
Scientist, Assistant Professor at MIT biology, #FirstGen
Postdoc in Delemotte group of Scilifelab and KTH. MD of proteins lipids and sugars.
Phase separation and disordered proteins!
All comments/opinions are my own and are not representative of St. Jude.
Associate Prof. at WashU School of Medicine; biophysics/biochem/evolution of intrinsically disordered proteins. How does nature encode function without a stable structure? We work in vivo / in vitro / in silico. He/him.
https://www.holehouselab.com/
Protein and coffee lover, father of two, professor of biophysics and sudo scientist at the Linderstrøm-Lang Centre for Protein Science, University of Copenhagen 🇩🇰
Est. 2010 by physicist & SAP co-founder Klaus Tschira & Klaus Tschira Foundation as a private, non-profit research institute. Basic research in natural, mathematical, and computer sciences. Application areas range from molecular biology to astrophysics.
Prof of Computational Microbiology. Oxford Biochemistry & St Anne’s College. Bacterial Cell Envelopes. LFC fan 🌈
Professor of Computational Biochemistry. School of Life Sciences & Department of Chemistry, University of Warwick. Molecular Modeller of Membrane Proteins, Bacterial Biogenesis & Antimicrobial Resistance.
Professor at UC San Diego. Computational biophysics, biology, chemistry. Multiscale modeler. Viruses. Cancer. Co-Director of the Airborne Institute.
Group Leader of the 'Photon Harvesting in Plants and Biomolecules' group at ICFO, Barcelona (ES)
Light-harvesting processes | Ultrafast spectroscopy | Single Molecule Optical Tweezers | MD simulations | Photosynthesis | Photobiology
Group URL: phpb.icfo.eu
Scientists, dad, husband. Developing AI+ML for biomedical domain, alternative splicing and functional RNAs, bioinformatics of macromolecular interactions, modeling large molecular assemblies, and having fun @KorkinLab.
Promoting fundamental research on advanced computational methods
Research group lead by @bussigio.bsky.social at SISSA | #RNA, #moleculardynamics, and more | web: http://bussilab.org
