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CompBioPhys

@compbiophys.bsky.social

News and views from the research groups of H. Grubmüller & B. de Groot @MPI-NATGöttingen, Germany, Imprint: https://www.mpinat.mpg.de/en/imprint

131 Posts437 Follower96 Folgt
Max Bonomi@bonomimax.bsky.social · 2w ago

Fantastic opportunity at @pasteur.fr in Spyros’ brand new lab, especially if you like protein design 🎉

Antigen Evolution & Design Lab@antigenevo.bsky.social · 2w ago

🚨 JOB ALERT🚨 We are very excited to be hiring the lab's ✨very first postdoc✨! Work on new AI technologies for decoding antigen protein evolution in a fresh research environment, at the heart of Paris 🇫🇷 Details & link to apply: research.pasteur.fr/en/job/postd... Deadline: Sep 1st

CompBioPhys@compbiophys.bsky.social · 2mo ago

🎉 We are delighted to see our latest #publication online introducing a #MM model that reconciles the decade-long bi-site versus tri-site controversy, showing that both pathways contribute depending on #ATP concentration. #F1-ATPase @springernature.com 🔗 www.nature.com/articles/s41...

A minimal chemo-mechanical Markov model for rotary catalysis of F1-ATPase - Nature Communications

F1-ATPase is a rotary motor protein essential for cellular energy transduction. Here the authors develop a thermodynamically consistent Markov model that quantitatively matches experimental data and r...

nature.com

CompBioPhys@compbiophys.bsky.social · 3mo ago

👉 Don't miss your opportunity to join the upcoming @bioexcelcoe.bsky.social #conference in Brno 🇨🇿 in September! #ComputerSimulation #MD More details:🔗https://bioexcel.eu/events/3rd-bioexcel-conference-on-advances-in-biomolecular-simulations/

3rd BioExcel Conference on Advances in Biomolecular Simulations

Registration for the 3rd BioExcel Conference on Advances in Biomolecular Simulations is now open! Date: 27 – 30 September 2026 Venue: Brno, Czech Republic Important dates: 19 January 2026: Registrat...

bioexcel.eu

BioExcel CoE@bioexcelcoe.bsky.social · 3mo ago

🤩 we have a truly outstanding line-up of invited speakers for our "3rd BioExcel Conference on Advances in Biomolecular Simulations" ➕ join them as a selected speaker by submitting your oral presentation abstract by Friday 1st May ℹ️ More info: bioexcel.eu/hzr0 #ComputerSimulation #conference

Phil Biggin@philbiggin.bsky.social · 3mo ago

Congratulations to Bjarne Feddersen for his work on benchmarking umbrella sampling workflows for PMF calculations of membrane permeation! Systematic work that provides guidance on how to approach these to minimise compute resource. @oxfordbiochemistry.bsky.social. pubs.acs.org/doi/10.1021/...

Umbrella Sampling Workflows for Fast-Converging PMF Calculations without Artificial WHAM Constraints

Umbrella sampling is a powerful tool to investigate the underlying free-energy landscapes that govern the permeation properties of small molecules through complex lipid bilayers. However, obtaining co...

pubs.acs.org

CompBioPhys@compbiophys.bsky.social · 3mo ago

We are happy to share our latest publication with you that just appeared in J. #Proteome Res. @pubs.acs.org pubs.acs.org/doi/10.1021/... 🙏 Many thanks for the great collaboration with our colleagues @mpibiochem.bsky.social in Martinsried! #proteomics #IMS #MD #peptides

Bimodal Peptide Collision Cross Section Distribution Reflects Two Stable Conformations in the Gas Phase

Recent high-throughput applications to shotgun proteomics have shown great benefits of coupling ion mobility spectrometry (IMS) to mass spectrometry. IMS adds a separation dimension by differentiating...

pubs.acs.org

CompBioPhys@compbiophys.bsky.social · 3mo ago

👉 Don't miss your opportunity to join the upcoming @bioexcelcoe.bsky.social #conference in Brno 🇨🇿 in September! #ComputerSimulation #MD More details:🔗https://bioexcel.eu/events/3rd-bioexcel-conference-on-advances-in-biomolecular-simulations/

3rd BioExcel Conference on Advances in Biomolecular Simulations

Registration for the 3rd BioExcel Conference on Advances in Biomolecular Simulations is now open! Date: 27 – 30 September 2026 Venue: Brno, Czech Republic Important dates: 19 January 2026: Registrat...

bioexcel.eu

BioExcel CoE@bioexcelcoe.bsky.social · 3mo ago

🤩 we have a truly outstanding line-up of invited speakers for our "3rd BioExcel Conference on Advances in Biomolecular Simulations" ➕ join them as a selected speaker by submitting your oral presentation abstract by Friday 1st May ℹ️ More info: bioexcel.eu/hzr0 #ComputerSimulation #conference

MPI for Multidisciplinary Sciences@mpi-nat.bsky.social · 3mo ago

Imagine being 11 years old, walking into a lab, putting on your lab coat 🥼 and gloves, and getting started. Waiting for you: a microscope 🔬, real samples, and lots of questions. Today is Future Day – and this is what the morning looks like for the school students visiting the MPI-NAT 🙂!

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CompBioPhys@compbiophys.bsky.social · 3mo ago

It was indeed great fun to participate in this annual event! Thanks to our guests and orga team @mpi-nat.bsky.social for a this wunderful experience. Hope to see you at some point again.. Maybe as junior researcher in our lab! 😀 #FutureDay

MPI for Multidisciplinary Sciences@mpi-nat.bsky.social · 3mo ago

Hands-on, interactive research🔬 – that is what we offered today at our Future Day. Thank you to all participants for your curiosity & to our employees for your dedication to bring science to life for the children. See you next year 😊 – registration opens in Jan 2027 via our website.

FAU Erlangen-Nbg@fau.de · 6mo ago

Impfstoffe und andere Medikamente werden zum Schutz oft in kleinen Fetttröpfchen verpackt, den sogenannten Lipid-Nanopartikeln. So werden sie von den Zellen aufgenommen und entlassen erst dann ihre Fracht. Um diesen Prozess zu optimieren, haben FAU-Forschende den Vorgang am Computer simuliert. (1/2)

CompBioPhys@compbiophys.bsky.social · 5mo ago

🙂 Happy to share our contribution to improving the understanding of #ionchannels! In this review, the authors attempt to elucidate how the modulator pocket contributes to #K2P channel activation. #TREK1 #MD #C-type inactivation #ML335 #review @wojciechkopec.bsky.social 👉 doi.org/10.1080/1933...

One pocket to activate them all (?): Efforts on understanding the modulator pocket in K2P channels

The modulator pocket is a cryptic site discovered in the TREK1 (K2P2.1) K2P channel. This pocket, located close to the selectivity filter, accommodates agonists that enhance the channel’s activity....

doi.org

CompBioPhys@compbiophys.bsky.social · 6mo ago

👉 Don't miss your chance to get the latest news about GROMACS 2026 and join the @bioexcelcoe.bsky.social #webinar with Vedran, Lukas and Berk on March 3! @gromacs.bsky.social #MD #moleculardynamics

BioExcel CoE@bioexcelcoe.bsky.social · 6mo ago

GROMACS 2026 is out! If you want to hear about the new features and performance improvements join our #webinar: 🗓️ 3 March 2026, 15:00 CET ✍️ bioexcel.eu/cpok #moleculardynamics #GROMACS @GMX_TWEET

CompBioPhys@compbiophys.bsky.social · 6mo ago

🎉Congratulations from your colleagues to this great honour, Annke! 👏 Indeed - we are very proud to keep Annke as PhD student in our department @mpi-nat.bsky.social ❤️More excellent research projects ahead...

MPI for Multidisciplinary Sciences@mpi-nat.bsky.social · 6mo ago

The Faculty of Physics @uni-goettingen.de annually awards the Berliner-Ungewitter Prizes. Congratulations to Annke de Maeyer who receives this award for her exceptional master’s degree👏! We are happy she continues her PhD with us @compbiophys.bsky.social