Maksim Kalutskii

Eye of the mantis shrimp. Bali/Amed with @cecclementi.bsky.social

Helmut Grubmüller

📢 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 📝ausschreibung24-25@mpinat.mpg.de

Laser flash melting cryo-EM samples to overcome preferred orientation - Nature Methods Individual proteins tend to adopt preferred orientations when subjected to vitrification for cryo-electron microscopy analysis. A laser flash melting procedure followed by rapid revitrification provid...

A laser flash melting procedure, followed by rapid revitrification, provides a simple approach to help mitigate the preferred orientation problem that plagues cryo-EM analysis.

www.nature.com/articles/s41...

We are recruiting 2 postdocs to work on bacterial motility using a combination of cryoEM, FLM and MD. An exciting collaboration with Kirsty Wan @micromotility.bsky.social Wolfram Moebius @wolframmoebius.bsky.social and Daniel Kattnig. Please see links in the thread below!

#PostDoc opportunity in data-driven #SynChem planning at MIT (Cambridge MA USA) duration: 2 years #cheminformatics #DataScience #CompChem #ChemPostDoc #PostDocJobs #chemsky 🧪
coley.mit.edu/positions

A few highlights from our new preprint:

On taxol-stabilized microtubules In vitro, wild-type (WT) and phosphor-resistive (AP) tau form well-defined envelopes, while phosphomimetic (E14) tau does not bind cooperatively.

Diffusing protein binders to intrinsically disordered proteins - Nature Using RFdiffusion, a general method for targeting intrinsically disordered proteins and regions for protein design has been developed.

Nature research paper: Diffusing protein binders to intrinsically disordered proteins

go.nature.com/4lSCdzE

Intrinsic disorder comes in various flavors ! Using CALVADOS simulations of the Tau protein, we reveal that its disordered dynamics can be interpreted at both residue and domain scales, and that addition of phosphorylations impact both

By @sacquin-mo.bsky.social , Chantal Prévost and I

Our paper on:

A coarse-grained model for simulations of phosphorylated disordered proteins

(aka parameters for phospho-serine and -threonine for CALVADOS)

is now published in Biophysical Journal

authors.elsevier.com/a/1lTcE1SPTB...

@asrauh.bsky.social @giuliotesei.bsky.social & Gustav Hedemark

Navigating protein landscapes with a machine-learned transferable coarse-grained model - Nature Chemistry The development of a universal protein coarse-grained model has been a long-standing challenge. A coarse-grained model with chemical transferability has now been developed by combining deep-learning m...

Our development of machine-learned transferable coarse-grained models in now on Nat Chem! doi.org/10.1038/s415...
I am so proud of my group for this work! Particularly first authors Nick Charron, Klara Bonneau, Aldo Pasos-Trejo, Andrea Guljas.

Arriën & Giulio's paper on

A coarse-grained model for disordered proteins under crowded conditions

(that is the CALVADOS PEG model) is now published in final form:
dx.doi.org/10.1002/pro....

@asrauh.bsky.social @giuliotesei.bsky.social

Ever wondered how one can design dynamics into proteins? Check out our work on flexibility conditioned protein structure design at ICML (Poster W-109, Thu. 11am)!

We introduce a flow matching framework for generating protein backbones with custom per-residue flexibility, validated by 300ns of MD.

Great work!

A Minimal Chemo-mechanical Markov Model for Rotary Catalysis of F1-ATPase https://www.biorxiv.org/content/10.1101/2025.06.26.661389v1

You want to make your simulations reactive, at little cost? Try KIMMDY. Don't hesitate to reach out if you want to include your favorite chemistry. Super happy to see this online, kudos to the team!

www.biorxiv.org/content/10.1...

Time’s running out! Lead generative AI research for molecular dynamics in our lab AIMLeNS.
- Scale our NeurIPS/ICLR-published implicit transfer operators to revolutionize simulations.
Postdoc position closes 10. July. Apply now:
www.chalmers.se/en/about-cha...

Microtubule dynamics are defined by conformations and stability of clustered protofilaments | PNAS Microtubules are dynamic cytoskeletal polymers that add and lose tubulin dimers at their ends. Microtubule growth, shortening, and transitions betw...

Have a great D2@ #EBSA2025 in Rome🫠! Here are the posters of today's session: 📌Maksim @maksimkalutskii.bsky.social is presenting (P-2.195) his project addressing #Microtubule Dynamics Are Defined by Conformations and Stability of Clustered #Protofilaments 📜🔗 www.pnas.org/doi/10.1073/...

Complete computational design of high-efficiency Kemp elimination enzymes - Nature We present a computational approach to the design of high-efficiency enzymes with catalytic parameters comparable to natural enzymes, enabling programming of stable, high-efficiency, new-to-nature Kem...

Our latest work is a collaboration led by Sarel Fleishman and Dina Listov, with Eva Vos, Andrej Berg, Gyula Hoffka and others. We present a fully computational workflow for designing highly proficient enzymes in TIM barrel folds. Read more here:

www.nature.com/articles/s41...

🌟 We are hiring! Seeking a postdoc to use molecular dynamics and AI to understand how ion channels are regulated by membrane lipids 🌟

Join us at #scienceanu with amazing collaborators and great working conditions!

Email me (karri.anu.edu.au) or apply here (tiny.cc/corry). Please share & repost!

This paper combines two sort-of-crazy (in the best sense) approaches in cryoEM sample preparation:
(1) Native, soft-landing electrospray ion beam deposition, followed by (2) deposition of amorphous ice, and reheating and freezing by laser flash melting. Has potential for time-resolved studies.

Efficient mRNA delivery to resting T cells to reverse HIV latency - Nature Communications Resting T cells are difficult to manipulate, and are a reservoir for latent HIV. Here, the authors develop a lipid nanoparticle formulation with the ability to transfect resting primary human T cells,...

Breakthrough in HIV latency reversal. A lipid nanoparticle co-formulated with an ionizable lipid and β-sitosterol delivers mRNA encoding HIV Tat or CRISPRa machinery directly into resting T cells. The approach reactivates latent HIV ex vivo without toxic effects or T cell activation.

the magic growing/shrinking GTP/GDP switch lies in the differential ability to bend out of plane and hold on neighbours.
Alone you go faster, together we go further.

@turnerb-123.bsky.social , first author of this manuscript, is now on bluesky, please follow him to learn about the latest developments in modelling Mtb cell wall.

I would like to mention here all the hard work done by Turner to model these very complex and novel systems. Congrats Turner!

Happy to contribute to this fantastic work by @maksimkalutskii.bsky.social and @maxotubule.bsky.social!
www.pnas.org/doi/abs/10.1...

Excited to share our latest work in @pnas.org! Combining simulations and cryo-ET, we reveal how microtubules decide between growth and shortening. doi.org/10.1073/pnas... @maksimkalutskii.bsky.social @vladimirvolkov.bsky.social @compbiophys.bsky.social @mpi-nat.bsky.social @qmul.ac.uk @dundee.ac.uk.

Figure outlining our approach to study changes in protein folding in condensates by simulations of differential partitioning of folded and unfolded proteins

The ability to model both folded domains and disordered regions in condensates means that we can now begin to use CALVADOS simulations to ask how and why the condensate environment changes protein folding stability 🧪
doi.org/10.1002/pro....

Helly from Severance “the numbers were scary”

Numbers being thrown in the bin on a retro computer screen

Altmetric score and weightings

Severance is a documentary about working at Altmetric

Our newest paper is out!