@compbiophys.bsky.social
News and views from the research groups of H. Grubmüller, B. de Groot and A. Godec @MPI-NATGöttingen, Germany, Imprint: https://www.mpinat.mpg.de/en/imprint
Interested in best practices for creating and maintaining reproducible workflows for biomolecular simulations?
Join us for our #webinar
🗓️ 17 February 2026, 15:00 CET
✍️ bioexcel.eu/7c2s
#molecularsimulations #workflows #FAIR #SoftwareEngineering
@coderefinery.org
Johanna's paper on the protein hydration shell is online at JACS. Congratulations! Thanks to Philip Anfinrud and his team at NIH for a fruitful collaboration!
pubs.acs.org/doi/10.1021/...
New preprint led by Fan Cao & Giulio Tesei
We present a data-driven “stickiness” scale for amino acids in intrinsically disordered proteins 🍝, learned from SAXS data on 115 proteins. The scale captures effective residue interactions without conflating size and strength
doi.org/10.64898/202...
😲 #Deadline is approaching... Don't miss your chance to join the @bioexcelcoe.bsky.social #summer#school on #biomolecular #simulations in #sardinia 🇮🇹 @gromacs.bsky.social #pmx #hadddock #biobb
28.01.2026 12:11 — 👍 3 🔁 2 💬 0 📌 0🎉 Now also published in @pubs.acs.org #Photonics ⏩ pubs.acs.org/doi/10.1021/... #MINFLUX #microscopy #Bayes
13.01.2026 07:44 — 👍 2 🔁 1 💬 0 📌 0🎉 All the best and a wonderful start in Freiburg for you and your group, Aljaz! The department will miss you😢 but we are looking forward to future collaborations... 🙂📜We'll stay in touch! 🤗
05.01.2026 08:38 — 👍 3 🔁 0 💬 0 📌 0Happy New Year and all the best for 2026! 🎆🥂🙂🍾🎇
01.01.2026 10:00 — 👍 11 🔁 2 💬 0 📌 0👉 Together, these findings will enable better integration of CCS measurements into protein identification and quantification pipelines, improving the performance of ion mobility-based proteomics.
#CollisionalCrossSection #ML #Peptide #Conformation #IonMobilitySpectrometry #ions
🎁Just published... our most recent contribution to the study with Oded and Allyn @newyorkuniversity.bsky.social "Large Data Set Analysis Reveals Structural Origin of Peptide Collisional Cross Section Bimodal Behavior" in J Am Soc Mass Spectrom @acs.org Happy reading!🔗
pubs.acs.org/doi/10.1021/...
Don't miss out!
The registration deadline for our Ambassador Program workshop in Slovenia has been extended until 20 December
➡️ bioexcel.eu/3c00
Lectures and hands-on tutorials covering #BioBB #HADDOCK and #PMX
☝️ Don't forget to register for our #webinar on 2 December at 15:00 CET
Alessandra Villa will take you through "The GROMACS tutorial suite: from basic to advanced applications"
Register here: bioexcel.eu/4m5m
#moleculardynamics
🥁 We have opened the registration for our Summer School on Biomolecular Simulations 2026!
Our flagship training event will take place 7-12 June 2026 in Sardinia, Italy 🌞⛱️
More information and how to apply ➡️bioexcel.eu/4ooy
#training #molecularsimulations #community
👉Applications will be reviewed on a rolling basis until the #postodc or #phd #position is filled. 📩 Send us your message to explain why you are a great candidate to join the group "Computational Biomolecular Dynamics" of Bert de Groot @mpi-nat.bsky.social 🔗 www.mpinat.mpg.de/degroot #compbiophys
14.11.2025 13:40 — 👍 4 🔁 4 💬 0 📌 1
👉 Steffen's preprint addressing "Bayesian #MINFLUX localization microscopy" is out @arxiv-soc-ph.bsky.social A rigorous #Bayesian approach should reduce the number of #photons required for 1 nm resolution by a factor of about 4️⃣! 🔗 doi.org/10.48550/arX... @mpi-nat.bsky.social @steschuu.bsky.social
14.11.2025 08:51 — 👍 3 🔁 1 💬 0 📌 1Congratulations from your campus colleagues!! 🎉🍾
14.11.2025 08:08 — 👍 2 🔁 1 💬 0 📌 0
Save the dates!
The 3rd BioExcel Conference on Advances in Biomolecular Simulations is happening:
🗓️ 27-30 September 2026
🌐 Brno, Czech Republic
ℹ️ bioexcel.eu/hzr0
Registration opens: 19 January 2026
#moleculardynamics #freeenergy #drugdesign #ai #conference
Join us for our next #webinar where we will provide an overview of the #GROMACS Tutorials Suite
We will cover different methods and installation of all the necessary software requirements
🗓️ 2 December 2025, 15:00 CET
✍️ bioexcel.eu/4m5m
#moleculardynamics #freeenergy #enhancedsampling
Don't miss your chance to participate in the upcoming @bioexcelcoe.bsky.social Workshop in Ljubiljana 🇸🇮 Save the date already now🔜 11-12 February 2026! Registration is open!
06.11.2025 09:11 — 👍 1 🔁 0 💬 0 📌 0
🚨 Happening this Thursaday🚨
🗓️ 6 Nov 2025
⏱️ 16.00 - 17.00 CEST
We will host Dr. Simone Aureli from the University of Geneve.
You will receive the link via email if you are already a member of #GPCR_FORUM. If you haven't already, consider becoming a member to avoid missing any of our events.
Many thanks for keeping such an excellent and inspiring 🍂 event here in #Göttingen! Also 2025 was a festival of highlights! 👍 #Literaturherbst
04.11.2025 14:42 — 👍 2 🔁 0 💬 0 📌 0🎉 Thanks to @bioexcelcoe.bsky.social for reposting the news about our recent 📝 #publication by @sudars.bsky.social et al. in #JCIM @pubs.acs.org ❤️about #GAFF2/ABCG2 parametrization in free-energy #simulations!
04.11.2025 14:39 — 👍 2 🔁 0 💬 0 📌 0Don't miss your opportunity and provide your #feedback to the @bioexcelcoe.bsky.social survey 2025!
28.10.2025 07:57 — 👍 0 🔁 0 💬 0 📌 0Congrats to the new preprint @maksimkalutskii.bsky.social and @carterjwilson.bsky.social 🎉and the new #poGö algorithm! @mpi-nat.bsky.social
27.10.2025 08:34 — 👍 3 🔁 0 💬 0 📌 0
Wir suchen eine studentische Hilfskraft aus dem Großraum Gö, die uns bei der Wartung und dem Ausbau unseres Linux Clusters @mpi-nat.bsky.social tatkräftig unterstützen möchte. Eine prima Gelegenheit praktische Erfahrungen zu sammeln. Mehr Infos: Ausschreibung 37-25 www.mpinat.mpg.de/5121412/37-2...
01.10.2025 08:53 — 👍 1 🔁 0 💬 0 📌 0A warm welcome to our new trainees! Great to have you here @mpi-nat.bsky.social 👏
19.09.2025 11:06 — 👍 1 🔁 0 💬 0 📌 0
Integrated MSc/PhD Graduate Program applications are now open! mattertolife.maxplanckschools.org/application Get an impression about our program and science: www.youtube.com/watch?v=6Ni1.... Apply now and become part of our vibrant student body. Spread the word!
01.09.2025 09:40 — 👍 5 🔁 6 💬 0 📌 3👍👍👍
18.09.2025 10:54 — 👍 2 🔁 0 💬 0 📌 0
From support and training to which features we should develop in our core software, your views are valuable to us 💎
Our annual survey gives you the opportunity to provide us with all-round feedback
Please fill in the BioExcel 2025 survey ➡️bit.ly/3Vi7HE1
📌Another @bioexcelcoe.bsky.social #webinar coming up! Join if you are interested in #topoisomerase inhibition, transmembrane #signalling and #membrane multilamellarity on September 23!
18.09.2025 10:53 — 👍 2 🔁 0 💬 0 📌 0🎉 Congratulations to Sonja's team @sonjalorenzlab.bsky.social! It has been our great pleasure to contribute to the project with our computational/theoretical experts Lars @larsvbock.bsky.social & Florian. @mpi-nat.bsky.social #HUWE1 #ubiquitin
18.09.2025 10:09 — 👍 3 🔁 1 💬 0 📌 0
