#compbiophys
👉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
November 14, 2025 at 1:40 PM
CompBioPhys (computational biophysics research groups led by H. Grubmüller, B. de Groot, and A. Godec at the Max Planck Institute for Multidisciplinary Sciences in Göttingen, Germany) has left X (4.202 followers)

Bluesky: @compbiophys.bsky.social
September 7, 2025 at 5:02 PM
Shout out to @marmakow.bsky.social for getting our work on AMP-lipid interplay featured as JCIM's cover for the May 12 issue! 🎉
pubs.acs.org/doi/10.1021/...

And a big thanks to @tempo3dstudio.bsky.social for the great illustration 🖌️

#compchem #compbiophys #compbiol
June 3, 2025 at 7:10 PM
🎉Congratulations to all authors to their new K+ #channel force field #paper published in 👉 @pnas.org
@reinierdevries.bsky.social
@wojciechkopec.bsky.social @mpi-nat.bsky.social #FF #MD #compbiophys Read what's new here: www.pnas.org/doi/epub/10....
May 27, 2025 at 6:56 AM
Cool new AMP pore structures and a membrane activity dependent on lipid shape, in our new paper by @marmakow.bsky.social!
(Using the old-but-gold Martini 2 model from @cg-martini.bsky.social)
#compchem #compbiophys #compbiol 🖥️🧪

pubs.acs.org/doi/full/10....
Lipid Shape as a Membrane Activity Modulator of a Fusogenic Antimicrobial Peptide
An intriguing feature of many bacterial membranes is their prevalence of non-bilayer-forming lipids, such as the cone-shaped phosphatidylethanolamines and cardiolipins. Many membrane-active antimicrob...
pubs.acs.org
March 20, 2025 at 6:08 PM
Latest preprint from our group: Review led by Upeksha, Arkanil & Yazdan on computational investigations of pathogenic mutations in enzymes.
#chemsky #biophyssky #compchem #compbiophys
chemrxiv.org/engage/chemr...
Computational Studies on the Functional and Structural Impact of Pathogenic Mutations in Enzymes
Enzymes are critical biological catalysts involved in maintaining the intricate balance of metabolic processes within living organisms. Mutations in enzymes can result in disruptions to their function...
chemrxiv.org
November 12, 2024 at 1:02 PM
Why connecting helices twice if only one connection carries all the force? #collagen's next surprise. Lead by @benerenne, great fun to collaborate with your Doktorvater @CompBioPhys! @mattertolife @HITStudies @ERC_Research https://x.com/PhysRevE/status/1855964974633406496
January 27, 2025 at 8:40 AM
Our @CompBioPhys department is hiring: Apply now as a PhD student for the project “Microtubule mechanical failure and interaction with tau proteins”.
More about the project 👇:
https://www.mpinat.mpg.de/grubmueller/microtubules
Application info here 👇:
https://www.mpinat.mpg.de/28-24?c=2501032
November 26, 2024 at 7:11 AM
What is the thermodynamic cost of transport phenomena in a stochastic environment? A fundamental lower bound is found in a recent paper by Cai Dieball and Aljaz #Godec published in @PhysRevLett. @CompBioPhys
Find a summary here 👇:
https://www.mpinat.mpg.de/4776999/news01_24?c=4124138
November 26, 2024 at 7:09 AM
We are looking for #PhD students or #postdocs in the field of #ionchannel simulations – interested? Check out our #JobAdvert 👇: Shares are welcome! @CompBioPhys
https://www.mpinat.mpg.de/4758159/24-24
#hiring #job #JobAlert #Applynow https://twitter.com/CompBioPhys/status/1820395224469819692
Stellenangebote
www.mpinat.mpg.de
November 26, 2024 at 7:09 AM
Check out the department’s X account 👉 @CompBioPhys. New followers welcome 😎!
November 26, 2024 at 7:08 AM
📣 Our institute is #hiring a #PhD student – check out the #JobAlert for studying #microtubules and computational #biophysics. For more information click on @CompBioPhys or the link🔗 to our website. Shares welcome!
https://t.co/Yzcy5SdrnV https://t.co/P2Mek08mwU
Open Positions
www.mpinat.mpg.de
November 26, 2024 at 7:08 AM
📣 Our institute is #hiring a #PhD student – check out the #JobAlert for studying #microtubules and computational #biophysics. For more information click on @CompBioPhys or the link🔗 to our website. RT welcome!
https://t.co/Yzcy5SdrnV https://t.co/P2Mek08mwU
Open Positions
www.mpinat.mpg.de
November 26, 2024 at 7:08 AM
Cai Dieball @CompBioPhys receives the Born-Franck Dissertation Award 2024 – congratulations 🥳! The Faculty of Physics @uniGoettingen honors him for his outstanding thesis on “Non-equilibrium statistical mechanics studied through the lens of stochastic calculus”.
November 26, 2024 at 7:07 AM
November 26, 2024 at 7:07 AM
You can still apply for the #PhD or #postdoc position @CompBioPhys. Interested in theoretical and computational #biophysics? Check it out 👇!
https://www.mpinat.mpg.de/4588467/60-23?c=645962
#hiring #job #PhDposition #postdocposition #CompBioPhys
November 26, 2024 at 7:05 AM
Latest paper from our group: "Impact of an Ionic Liquid Solution on Horseradish Peroxidase Activity". Great job by Shubham Chatterjee and Jorge Nochebuena
#polarizable #QMMM #compchem #compbiophys
pubs.acs.org/doi/full/10....
Impact of an Ionic Liquid Solution on Horseradish Peroxidase Activity
Horseradish peroxidase (HRP) is an enzyme that oxidizes pollutants from wastewater. A previous report indicated that peroxidases can have an enhancement in initial enzymatic activity in an aqueous sol...
pubs.acs.org
May 3, 2024 at 5:35 PM
Just published, great work by Jorge Nochebuena on the seamless integration of GEM for QM/MM via LICHEM using Psi4 and TINKER-HP:
#compchem #compbiophys
pubs.aip.org/aip/jcp/arti...
Seamless integration of GEM, a density based-force field, for QM/MM simulations via LICHEM, Psi4, and Tinker-HP
Hybrid quantum mechanics/molecular mechanics (QM/MM) simulations have become an essential tool in computational chemistry, particularly for analyzing compl
pubs.aip.org
May 1, 2024 at 2:25 PM
Latest preprint from our group, on the investigation of the effect of the cancer-associated Y432S DNA Pol kappa variant.
Nice collaboration between Yazdan Maghsoud Emmett Leddin and Arkanil Roy
#compchem #compbiophys
chemrxiv.org/engage/chemr...
Effects of the Y432S Cancer-Associated Variant on the Reaction Mechanism of Human DNA Polymerase κ
Human polymerases are vital for genetic information management. Their function involves catalyzing the synthesis of DNA strands with unparalleled accuracy, which ensures the fidelity and stability of ...
chemrxiv.org
February 28, 2024 at 2:31 PM
November 26, 2024 at 7:01 AM
A study of Aljaz #Godec, Cai Dieball @CompBioPhys, & colleagues @CanalUGR proposes a theory on #thermalkinetics, which explains why small systems far from thermal equilibrium heat up 🔥 faster than they cool down ❄. Read more here: 👇 #Mathbiophys
https://www.mpinat.mpg.de/4590800/rn_2401
Heating and cooling are fundamentally asymmetric
If you take a coin out of an ice bath, it warms up over time. Likewise, a hot coin that you have just taken out of a sauna cools down. The fact that systems, here the coin, thermally adapt to their environment is due to the heat flow that results from temperature differences. However, this adaptation process, called thermal relaxation, is much more complicated when large temperature changes bring a system far out of thermodynamic equilibrium.
www.mpinat.mpg.de
November 26, 2024 at 6:59 AM
#mpinat_calendar 🎅🎁 – looking back on our X year 2023
The top tweet in Feb 2023 was a paper by Aljaz #Godec @CompBioPhys in @PhysRevLett. You can find the link to the publication & a summary in our post. In 2024, too, you will find all important research news from the #mpinathttps://t.co...
November 26, 2024 at 6:58 AM
Passed with flying colors! 🎉We proudly present: 🥁 Dr. Rennekamp @benerenne. Many thanks to committee members @tristanbereau @CompBioPhys and Norbert Frank @UniHeidelberg for insightful and challenging discussions @HITStudies @mattertolife @ERC_Research
January 27, 2025 at 8:37 AM
Read more about his lecture here:
https://www.literaturherbst.com/programm/festivalkalender/2023/die-max-planck-gesellschaft/?return=1024
@mpids @MPSGoettingen @mpimmg @CompBioPhys @MPIWG #MPIGö #MaxPlanckHistory
© Photo: private
November 26, 2024 at 6:55 AM
The Faculty of Physics @uniGoettingen honors Kristian Blom @CompBioPhys with the #BornFranckDissertationAward 2023 for his doctoral thesis “Pair-Correlation Effects in Many-Body Systems”. Congratulations 🎉!
November 26, 2024 at 6:50 AM