First tweet, first paper!😍 So excited to see that the project I worked on in my Master thesis contribuited to this work, now published on Nanoscale journal family: doi.org/10.1039/D1NR01…

We are half-way through the 2nd day of our School "Hybrid Quantum Mechanics / Molecular Mechanics (QM/MM) approaches to biochemistry and beyond" here in CECAM-HQ! Participants will start this afternoon's program with hands-on exercises and end the day with a poster session.

Today is the last day of our school on QM/MM approaches to biochemistry and beyond in Lausanne! apsi 🇺🇦 - au Ciel Bleu ... 💙 opens today's program with a lecture on "Enhancing sampling in QM/MM MD – Biological Applications". Thank you to our organisers and participants, who joined onsite and online!

It's day 2 of the CECAM School "Multiscale Molecular Dynamics with MiMiC" in CECAM-HQ, EPFL ! The participants are now listening to @foeroyingur's lecture on Advanced topics in QM/MM before enjoying a sunny lunch break.

Check out the new preprint by Simon Duerr and me at LCBC EPFL on fast and accurate predictions of transition metal sites in proteins! #BioRxiv preprint: doi.org/10.1101/2022.0… #GitHub repository: github.com/lcbc-epfl/meta… #HuggingFace webapp: hf.space/simonduerr/met… ⬇️⬇️⬇️

The new #CECAM program is now live! 54 exciting workshops, schools and conferences will be held across the network between April 2023 and March 2024. Explore our activities and apply to participate at: cecam.org/program

Celebrate with CECAM the UN Day for Women and Girls in Science on February 10th at 15:00 CET! From women’s eyes, a conversation with Shoshana Wodak, Elisa Molinari, Carme Rovira, Paola Carbone & Chiara de Fabritiis. Online, no registration required ➡️cecam.org/lecture-detail…

MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations #MolecularDynamics #QMMM #cheminformatics pubs.acs.org/doi/10.1021/ac… Andrea Levy @PhiloSophieKatt @foeroyingur Paolo Carloni Vol63 Issue5 #JCIM #ApplicationNotes

Glad that our work (Andrea Levy LCBC EPFL) on Zinc ion site prediction is now published in Nature Communications nature.com/articles/s4146… More details in the preprint thread x.com/simonduerr/sta…