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CompBioPhys @compbiophys.bsky.social · 19d

A warm welcome to our new trainees! Great to have you here @mpi-nat.bsky.social 👏

Explore your passion for science with Matter to Life!

Reposted by CompBioPhys

Max Planck School Matter to Life @mattertolife.bsky.social · Sep 1

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!

The Max Planck School Matter to Life (MPS MtL) offers a unique interdisciplinary Master to PhD Direct track program, aimed at understanding the fundamental principles of life and exploring new ways…

www.youtube.com

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CompBioPhys @compbiophys.bsky.social · 20d

👍👍👍

BioExcel CoE @bioexcelcoe.bsky.social · 26d

4️⃣ Featuring the fourth of our showcase projects

Upgrading GROMACS to handle billion-atom systems and enhancing I/O performance and precision, making the first-ever whole-cell simulation possible ➡️ bioexcel.eu/uw67

#MolecularDynamics #GROMACS #ComputationalBiology

Reposted by CompBioPhys

BioExcel CoE @bioexcelcoe.bsky.social · Sep 3

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

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CompBioPhys @compbiophys.bsky.social · 20d

📌Another @bioexcelcoe.bsky.social #webinar coming up! Join if you are interested in #topoisomerase inhibition, transmembrane #signalling and #membrane multilamellarity on September 23!

BioExcel CoE @bioexcelcoe.bsky.social · 21d

Happening next week!

Our 23-September, special edition webinar will feature talks on topoisomerase inhibition, transmembrane signalling and membrane multilamellarity

Register here ➡️bioexcel.eu/ion8

Researchers at the MPI-NAT have made a surprising discovery: The human ubiquitin ligase HUWE1 does not only attach ubiquitin to cellular proteins. It can also tag externally added drug-like molecules,...

CompBioPhys @compbiophys.bsky.social · 20d

🎉 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

MPI for Multidisciplinary Sciences @mpi-nat.bsky.social · 21d

Read the full story in our press release “A surprising tag”: www.mpinat.mpg.de/5119533/pr_2...

A surprising tag

Analysis of Large Peptide Collisional Cross Section Dataset Reveals Structural Origin of Bimodal Behavior

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CompBioPhys @compbiophys.bsky.social · 21d

🎉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...

Recent advances in ion mobility spectrometry have enabled the measurement of rotationally averaged collisional cross-sectional area (CCS) for millions of peptides, as part of routine proteomic mass sp...

www.biorxiv.org

CompBioPhys @compbiophys.bsky.social · 21d

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

MPI for Multidisciplinary Sciences @mpi-nat.bsky.social · Aug 15

📚 Full program of the Göttinger Literaturherbst: www.literaturherbst.com/programm/
🔬 Our scientific lecture series: www.literaturherbst.com/programm/wis...
🎤 Talks in English: www.literaturherbst.com/programm/lit...

CompBioPhys @compbiophys.bsky.social · 21d

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

MPI for Multidisciplinary Sciences @mpi-nat.bsky.social · Sep 2

📣 Job opportunity for early career researchers! Our research group Computational Biomolecular Dynamics @compbiophys.bsky.social is looking for a PhD student or postdoc to join their team.

Interested? Find all the details here 👇
www.mpinat.mpg.de/24-25

Wissenschaft beim Göttinger Literaturherbst | Göttinger Literaturherbst

Reposted by CompBioPhys

MPI for Multidisciplinary Sciences @mpi-nat.bsky.social · Sep 4

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

Der Göttinger Literaturherbst zählt zu den fünf größten Literaturfestivals im deutschsprachigen Raum. Seit über 30 Jahren ein Fest der Gegenwartsliteratur.

www.literaturherbst.com

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Reposted by CompBioPhys

BioExcel CoE @bioexcelcoe.bsky.social · 29d

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

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CompBioPhys @compbiophys.bsky.social · Sep 2

Possible #MD #projects are variational free energy methods, thermodynamics of #solvation shells, #constant-pH #MD methods, #Markovian thermodynamics, as well as functional mechanisms of the #ribosome, #FAS, #CRISPR/Cas, or #IDPs 🔗 #job 10-25 t1p.de/2e700 📩 E-mail to [email protected]

Single Molecule Ultrafast X-Ray Diffraction

CompBioPhys @compbiophys.bsky.social · Sep 2

The project 'Theory and Algorithms for Structure Determination from Single Molecule X-Ray Scattering Images' aims at deriving priors for #Bayesian methods from atomistic simulations and #ML. It also offers the opportunity to work with data from the European #XFEL facility at #DESY t1p.de/oo8eu #job

t1p.de

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CompBioPhys @compbiophys.bsky.social · Sep 2

📢 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

Helmut Grubmüller

Braess' Paradox in Enzyme Kinetics: Asymmetry from Population Balance without Direct Cooperativity

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CompBioPhys @compbiophys.bsky.social · Sep 2

👉 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]

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CompBioPhys @compbiophys.bsky.social · Aug 27

📌 #Job opportunity in #research! #MD simulations

BSC-CNS @bsc-cns.bsky.social · Jul 4

📢Vacancy: BSC is looking for a Junior Research Engineer Biomolecular Simulations (MDDB/BioExcel)

➡www.bsc.es/ZvN

#job #trabajo #feina @bioexcelcoe.bsky.social

CompBioPhys @compbiophys.bsky.social · Aug 26

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 👏🎉

Reinier de Vries @reinierdevries.bsky.social · Aug 19

New preprint: www.biorxiv.org/content/10.1...
We used molecular dynamics simulations and solid-state NMR (@fmp-berlin.de) to look at calcium binding to the pore domain of the calcium-gated K+ channel MthK. @wojciechkopec.bsky.social @compbiophys.bsky.social

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CompBioPhys @compbiophys.bsky.social · Aug 4

📝 We proudly present our most recent preprint @biorxiv-biophys.bsky.social about Braess' Paradox in #Enzyme Kinetics: Asymmetry from Population Balance without Direct Cooperativity with Colin and Robert 🤝 #ATPase #ABCE1 #MarkovModel #allostery📜Happy reading: www.biorxiv.org/content/10.1...

The ATPase ABCE1, a member of the ubiquitous ATP-Binding Cassette protein superfamily, is essential in eukaryotic and archaeal ribosome recycling. It comprises a pair of homologous nucleotide-binding ...

www.biorxiv.org

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CompBioPhys @compbiophys.bsky.social · Jul 29

🎉

MPI for Multidisciplinary Sciences @mpi-nat.bsky.social · Jul 29

A “molecular lever” behind allostery: Maximilian Vossel, Bert de Groot, & Aljaz Godec @compbiophys.bsky.social ‬have discovered a previously unknown mechanism that allows mechanical signals to travel across proteins.
www.mpinat.mpg.de/5065934/rn_2...

Mechanical principle of allostery

CompBioPhys @compbiophys.bsky.social · Jul 29

👉 Here is also an excellent summary in the corresponding press release www.mpinat.mpg.de/5065934/rn_2...

Researchers at the MPI-NAT have discovered a previously unknown mechanism that allows mechanical signals to travel across proteins.

Allosteric Lever: Toward a Principle of Specific Allosteric Response

CompBioPhys @compbiophys.bsky.social · Jul 29

🎉 New insights on the mechanical principle of #allostery to explain how #signals travel across #proteins now published in @physrevx.bsky.social. Joint paper by our Mathematical bioPhysics and Computational Biomolecular Dynamics groups @mpi-nat.bsky.social in our department 🔗 doi.org/10.1103/wv2k...

Allosteric proteins transmit signals through a nonlinear coupling between localized stiffness and soft deformations, revealing a conserved, lever-like mechanism behind long-range molecular communicati...

doi.org

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CompBioPhys @compbiophys.bsky.social · Jul 28

😀 Don't miss this excellent #PhD #job opportunity to join the @mpi-nat.bsky.social in #Göttingen, in particular Andreas' new research group @amkueffner.bsky.social #Sustainable #Biocatalysis! 👏

MPI for Multidisciplinary Sciences @mpi-nat.bsky.social · Jul 28

🔬 Open PhD positions:
www.mpinat.mpg.de/5044640/19-25
www.mpinat.mpg.de/5044746/20-25