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









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"We suggest a novel two-valued CCS predictor that allows for multiple peptide conformations. Its integration into data-independent acquisition proteomics increases identification rates of peptides compared with single-value predictors."
We are hiring an #IT expert! Interested to join our department @mpi-nat.bsky.social in #Göttingen 🇩🇪 as #SysAdmin or #HPC infrastructure manager? Please apply! 📩 #joboffer #job #openposition 🔗 www.mpinat.mpg.de/5256103/13-2... 📅 Don't miss the application deadline: May 17, 2026
👉 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/
👉 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/
1mo
1mo
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1mo
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
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
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/...
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 🙂!
1mo
CompBioPhys
CompBioPhys
1mo
CompBioPhys
CompBioPhys
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1mo
We open up to two Junior PI positions at UCT Prague, Czechia @vschtpraha.bsky.social. Broadly defined chemistry-related projects will be considered. A support from any department must be negotiated prior application. Feel free to contact me for further info or visit www.vscht.cz/research/dag....
1mo
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
Umbrella Sampling Workflows for Fast-Converging PMF Calculations without Artificial WHAM Constraints
CompBioPhys
CompBioPhys