🎉Just appeared online in #JCTC @pubs.acs.org "Improving Conformational Ensembles of Folded #Proteins in #GōMartini" @maksimkalutskii.bsky.social @maxotubule.bsky.social @carterjwilson.bsky.social pubs.acs.org/doi/10.1021/...

👉 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

🧐 Who will be presenting their #research projects during the upcoming #Theory #workshop in #Hünfeld? ⏩ Take a look at the program and list of #speakers. www.mpinat.mpg.de/workshop/hue... #Registration for 🖥️ online only participation is still open...

🎉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...

👉 Join our 'Computer Simulation and Theory of Macromolecules' #workshop in #Hünfeld 🇩🇪 to discuss recent advances in #theory and application of #biomolecular #simulations and contribute to promoting the exchange among the communities of Germany and beyond. #MD @mpi-nat.bsky.social t1p.de/d0lrv

📩 Join our interdisciplinary team as #PhD student or #postdoc and contribute to the project "Theory and #Algorithms for Structure Determination from Single Molecule X-Ray Scattering Images", a new route to the structure determination of biomolecules. #job #XFEL in #Göttingen 🇩🇪 @mpi-nat.bsky.social

📜 We present our most recent joint publication with Robert and Colin "Braess’ Paradox in Enzyme Kinetics: Asymmetry from Population Balance without Direct Cooperativity" in the Journal of Chemical #Theory and #Computation! #ATPase #enzyme #MarkovModelling 🔗 pubs.acs.org/doi/10.1021/...

🎉Don't miss this excellent #job opportunity to join the #communication and #media #team @mpi-nat.bsky.social

⏩ Tomorrow! #webinar @bioexcelcoe.bsky.social

Check out our latest review of advanced sampling of membrane transporter dynamics - link.springer.com/chapter/10.1... Great work from Jon Colburn and @simonlichtinger.bsky.social !

🧐 You are a physicist or chemist who wants to reveal how life works at the molecular level? 🤓 You know how to combine computer power and theory to solve biological problems? ❤️ You just love doing science? 👉 Send us your application! 🔗 Current job adverts www.mpinat.mpg.de/grubmueller

🎗️ reminder that our #webinar on "Mastering the Accelerated Weight Histogram method" will take place next week; 🗓️ 10 February 2026, 15:00 CET ✍️ bioexcel.eu/5t76 #moleculardynamics

🥸Don't miss this excellent @bioexcelcoe.bsky.social #webinar! News about #GROMACS @gromacs.bsky.social #MD #simulations #compchem

📣 Our department @compbiophys.bsky.social is hiring a PhD Student or Postdoc in the field of theory and methods for non-equilibrium theory and atomistic simulations of complex biomolecules. Check out our website for the possible projects & further information: ⬇️ www.mpinat.mpg.de/5199181/01-26

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

🎉 Now also published in @pubs.acs.org #Photonics ⏩ pubs.acs.org/doi/10.1021/... #MINFLUX #microscopy #Bayes

🎉 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! 🤗

Happy New Year and all the best for 2026! 🎆🥂🙂🍾🎇

🎁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

👉 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

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!

🚨 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

🎉 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!

Don't miss your opportunity and provide your #feedback to the @bioexcelcoe.bsky.social survey 2025!

Congrats to the new preprint @maksimkalutskii.bsky.social and @carterjwilson.bsky.social 🎉and the new #poGö algorithm! @mpi-nat.bsky.social

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...

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!

👍👍👍

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!

🎉 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

🎉Just published @biorxiv-biophys.bsky.social with our collaboration partners Allyn and Oded: ⏩ better integration of #CCS measurements into protein identification and quantification pipelines, improving the performance of ion mobility-based #proteomics 🔗 doi.org/10.1101/2025...

Looking forward to the upcoming 🍁 event in Göttingen with great speakers and books 📖! www.literaturherbst.com

Thanks for spreading the #jobpost for #PhD students and #Postdocs @mpi-nat.bsky.social! Join Bert's team and come to Göttingen - the ❤️ of 🇩🇪 😍

Looking for the program of the scientific lecture series? We got you 👉 www.literaturherbst.com/programm/wis...

2⃣ Featuring the second of our showcase projects Through a combination of AlphaFold2 and other tools we are bypassing the limits of traditional MD simulations ➡️ bioexcel.eu/dvy3 #Proteins #MolecularDynamics #GROMACS #AlphaFold2

📢 We are hiring #PhD students and #Postdocs at the @mpi-nat.bsky.social in in the Department of Theoretical and Computational #Biophysics in Göttingen 🇩🇪! 🔗 check our current job adverts at www.mpinat.mpg.de/grubmueller and find your project. Submit your #application today! #job

👉 Open #PhD and #Postdoc positions in #computational #biophysics @mpi-nat.bsky.social in Göttingen 🇩🇪 in the Computational Biomolecular Dynamics group of Bert deGroot for several projects! Applications welcome! 🔗https://www.mpinat.mpg.de/5088717/24-25?c=645962 📝[email protected]

📌 #Job opportunity in #research! #MD simulations

Most recent news about "Atomistic #Mechanism of Calcium-Mediated Inward Rectification of the #MthK #Potassium Channel by Solid-State #NMR and #MD Simulations" @biorxiv-biophys.bsky.social 👏🎉