Maxim Igaev

🎉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/...

Scalable emulation of protein equilibrium ensembles with generative deep learning Following the sequence and structure revolutions, predicting functionally relevant protein structure changes at scale remains an outstanding challenge. We introduce BioEmu, a deep learning system that...

BioEmu is now on @science.org ! The revised version includes an upgraded model and makes a lot of MD simulation data internally generated at MSR available to the public. This took a lot of firepower from us in the last two years.
www.science.org/doi/10.1126/...

A scheme of chemico-biological evolution of protein-RNA interactions. It started about 4.5 billion years ago with prebiotic monomers, went through peptides, oligonucleotides, and simple complexes, reaching proteins and RNA at about 4-3.7 billion years ago.

New publication out on the evolution of protein-RNA interactions. Put together with Klára Hlouchová (@sciencecharles.bsky.social) during a lovely Czech spring.

www.sciencedirect.com/science/arti...

📌Carter @carterjwilson.bsky.social‬ is presenting (P-2.44) "A Tale of Two #Aquaporins: Structural Mechanisms of Gating and Inhibition in Aqp3 and Aqp7" and + 📌Florian will explain (P-2.196) "How Loop #Dynamics Control Activity and Selectivity of a Short Chain #Reductase" Happy discussions! 👥

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/...

A picture of 3 rows of people on steps at the MRC LMB. From left to right - top row: Akaash, Vic, Lara - Middle row: Kerrie, Manu, Paddy - bottom row: Meg and Julie

🚨 JOB ALERT 🚨
We're hiring a Research Assistant – no PhD needed!
Join us to explore the molecular mechanisms of receptor sorting in endosomes.
Experience in protein expression/purification, cloning & cell culture desired 🧫🔬
Apply now 👉 www.nature.com/naturecareer...

#STEMCareers #ResearchJobs

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.

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

( #TubulinTuesday! )

UK immigration policy is destabilising international academics’ careers The effort of staying compliant with fluctuating regulations diminishes the mental space for teaching, research and building belonging, say Zahra Sharifonnasabi, Fleura Bardhi and Laetitia Mimoun

UK immigration policy is destabilising international academics’ careers. The effort of staying compliant with fluctuating regulations diminishes the mental space for teaching, research and building belonging, say Zahra Sharifonnasabu et al
www.timeshighereducation.com/opinion/uk-i...

📜 Great work by Maksim and Co-authors! Congratulations to this latest #microtubule #publication in @pnas.org 🍾 @maxotubule.bsky.social @maksimkalutskii.bsky.social @vladimirvolkov.bsky.social

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.

Our joint paper with Wonpil Im lab is now available as a preprint:
"Dynamic Architecture of Mycobacterial Outer Membranes Revealed by All-Atom Simulations"

www.biorxiv.org/content/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.

It was a great pleasure! Thanks for hosting me 🫡

🚀 First Bluesky Post! 🎉 VMD 2.0 Alpha is here! Released today at BPS 2025, this is the biggest update in 30 years—new UI, real-time ray tracing, fast surfaces, UHD & touchscreen support. Monthly updates coming in 2025! Try it now! #VMD #BPS2025 #MolecularVisualization
www.ks.uiuc.edu/Research/vmd...

Yean Ming Chew and I wrote doi.org/10.1042/BST2... about MT lattice switching. We discuss evidence that protofilament-level structural switching is ancient and fundamental and conserved; and that tubulation creates new allosteric interfaces that operate on essentially the same structural switch.

sorry, in Rome

EBSA 2025 Join the 15th EBSA Congress in Rome from June 30 to July 4, 2025! Organized by SIBPA, EBSA, and the Protein Society, with support from IUPAB, the event will take place at the Palazzo dei Congressi. Di...

EBSA 2025 in Milan (www.ebsa2025.eu)

The regular registration for on-site participation has been closed. However, it is still possible to join our workshop online! You find the link to the according registration on our workshop website 🔗https://www.mpinat.mpg.de/workshop/huenfeld #TheoryHünfeld2025 #biophysics

We have a PhD position in Molecular chemical physics at UCT Prague, Czechia. It is closely related to our research of the evolution of #protein-RNA interactions. A pre-PhD #internship available from January 2025. Apply directly by email to positions@mhko.science.

Recent Progress in Modeling and Simulation of Biomolecular Crowding and Condensation Inside Cells Macromolecular crowding in the cellular cytoplasm can potentially impact diffusion rates of proteins, their intrinsic structural stability, binding of proteins to their corresponding partners as well ...

The inside of a cell is incredibly crowded! With advancing computing power and smart algorithms, this complex world is becoming more accessible through simulations.

This review summarizes the current state of modeling macromolecular crowding:
pubs.acs.org/doi/10.1021/...

#CompChem

Ewald Lab @ EMBL-EBI. We identify and characterize chemical hazards to both humans and ecosystems with cell profiling data, machine learning, and integrative data analysis.

🎉 I'm starting my own lab at EMBL-EBI (Cambridge, UK; June 2025) 🎉

We will focus on identifying and characterizing chemical hazards to humans and ecosystems using computational biology methods.

I am beginning the search for two postdocs now - stay tuned for more details!

ewaldlab.org

Chaperonin TRiC within human cells. The left panel displays a representative 3D map from a tomogram illustrating the spatial distribution of open and closed TRiC complexes in human cells. The top right panel highlights the interaction of PDCD5 with the CCT3-1-4 subunits of the open TRiC complex. The bottom right panel shows the closed TRiC complex forming clusters of two particles.

Do not miss our latest #cryoET work! 🕵️ Xing et al. present the dynamic architecture of TRiC in human cells! The study of this protein-folding chaperonin opens the door to understanding its dysfunction in diseases like cancer and neurodegeneration 🧠🧪 #teamTOMO @becklab.bsky.social

Want to engage with the #mechanobiology community? Why not join this group? Just drop me a DM and I´ll add you.
go.bsky.app/G5cQqYT

Couldn't find one so made a quick physics of life list, enjoy! go.bsky.app/EA2VsDN

In this work, we use all-atom MD simulations to elucidate why human and rhesus macaque TRIM5α differ in their ability to restrict HIV. See our manuscript by Liam Haas-Neill, Deniz Meneksedag-Erol & Ibraheem Andeejani --

Extended until the 17th of Dec

A figure comparing box plot and showing all data points. Group1: normally distributed data. Group2: bimodal data. Group3: Data with 3 modes.

Friends don't let friends make bad graphs repo has been updated!

Friends don't let friends use boxplot for binomial (bimodal) data. Is your box plot hiding something from you?

#DataVisualization

github.com/cxli233/Frie...

🚨 PLEASE REPOST 🚨

We're still looking for an enthusiastic PhD student 😉

Here are some potential projects:

- mechanical stability of microtubules probed by computational force spectroscopy

- mechanism of microtubule assembly studied by coarse-grained modeling

www.mpinat.mpg.de/28-24?c=2501...