Maksim Kalutskii
@maksimkalutskii.bsky.social
PhD student at MPINAT. Microtubules and coarse grained simulations.
Pinned
Excited to share our new preprint! 📜
Here, we used CALVADOS and ultra-CG models to show how the kinetochore establishes a robust attachment to the dynamic microtubule end.
Spoiler: IDRs 🧵 1/n
www.biorxiv.org/content/10.6...
Here, we used CALVADOS and ultra-CG models to show how the kinetochore establishes a robust attachment to the dynamic microtubule end.
Spoiler: IDRs 🧵 1/n
www.biorxiv.org/content/10.6...
Reposted by Maksim Kalutskii
🧐 Did YOU try out the code provided by @carterjwilson.bsky.social and @maksimkalutskii.bsky.social yet???
🔗 doi.org/10.1021/acs....
🔗 doi.org/10.1021/acs....
October 9, 2026 at 7:04 AM
🧐 Did YOU try out the code provided by @carterjwilson.bsky.social and @maksimkalutskii.bsky.social yet???
🔗 doi.org/10.1021/acs....
🔗 doi.org/10.1021/acs....
Reposted by Maksim Kalutskii
Open #positions for #PhD students and #postdocs
@mpi-nat.bsky.social in Göttingen 🇩🇪! Join the Grubmüller group and participate in exciting projects in the field of "Theory and Methods for Non-equilibrium #Theory and Atomistic Simulations of Complex #Biomolecules" #job #academic 🔗 s.gwdg.de/3XirxW
@mpi-nat.bsky.social in Göttingen 🇩🇪! Join the Grubmüller group and participate in exciting projects in the field of "Theory and Methods for Non-equilibrium #Theory and Atomistic Simulations of Complex #Biomolecules" #job #academic 🔗 s.gwdg.de/3XirxW
October 8, 2026 at 3:15 PM
Open #positions for #PhD students and #postdocs
@mpi-nat.bsky.social in Göttingen 🇩🇪! Join the Grubmüller group and participate in exciting projects in the field of "Theory and Methods for Non-equilibrium #Theory and Atomistic Simulations of Complex #Biomolecules" #job #academic 🔗 s.gwdg.de/3XirxW
@mpi-nat.bsky.social in Göttingen 🇩🇪! Join the Grubmüller group and participate in exciting projects in the field of "Theory and Methods for Non-equilibrium #Theory and Atomistic Simulations of Complex #Biomolecules" #job #academic 🔗 s.gwdg.de/3XirxW
Reposted by Maksim Kalutskii
New preprint from our lab!
Generating Structural Ensembles of Disordered Proteins with Diffusion Models
Preprint: doi.org/10.64898/202...
Code: github.com/rauscher-lab...
#MachineLearning #MolecularDynamics #ComputationalBiophysics #IntrinsicallyDisorderedProteins
Generating Structural Ensembles of Disordered Proteins with Diffusion Models
Preprint: doi.org/10.64898/202...
Code: github.com/rauscher-lab...
#MachineLearning #MolecularDynamics #ComputationalBiophysics #IntrinsicallyDisorderedProteins
October 7, 2026 at 11:02 PM
New preprint from our lab!
Generating Structural Ensembles of Disordered Proteins with Diffusion Models
Preprint: doi.org/10.64898/202...
Code: github.com/rauscher-lab...
#MachineLearning #MolecularDynamics #ComputationalBiophysics #IntrinsicallyDisorderedProteins
Generating Structural Ensembles of Disordered Proteins with Diffusion Models
Preprint: doi.org/10.64898/202...
Code: github.com/rauscher-lab...
#MachineLearning #MolecularDynamics #ComputationalBiophysics #IntrinsicallyDisorderedProteins
Reposted by Maksim Kalutskii
Out today in @nature.com: our review on how single cells evolve into multicellular organisms. With Ozan Bozdag, @kaitong25.bsky.social, Peter Yunker, and @matthewherron.bsky.social.
rdcu.be/9ZuiKow9twKa
For an overview, check out the video below.
rdcu.be/9ZuiKow9twKa
For an overview, check out the video below.
October 7, 2026 at 8:58 PM
Out today in @nature.com: our review on how single cells evolve into multicellular organisms. With Ozan Bozdag, @kaitong25.bsky.social, Peter Yunker, and @matthewherron.bsky.social.
rdcu.be/9ZuiKow9twKa
For an overview, check out the video below.
rdcu.be/9ZuiKow9twKa
For an overview, check out the video below.
Reposted by Maksim Kalutskii
We are looking for a new team member! Interested in structural biology, gene expression and organelles? Then apply now to our open PhD position: umg.recruiting-portal.com/r/z11okjqp6v...
Institut für Zellbiochemie -- PhD (f/m/d)
PhD (f/m/d)
https://umg.recruiting-portal.com/r/z11okjqp6v21dox/PhD+fmd/37073/Göttingen
September 30, 2026 at 7:04 PM
We are looking for a new team member! Interested in structural biology, gene expression and organelles? Then apply now to our open PhD position: umg.recruiting-portal.com/r/z11okjqp6v...
Reposted by Maksim Kalutskii
👉 Don't miss the next @bioexcelcoe.bsky.social #Webinar with 〰️Carter! @carterjwilson.bsky.social @mpi-nat.bsky.social #GROMACS #proteins #PMX
📢 Join us for our next webinar where Carter J. Wilson from @compbiophys.bsky.social will present our latest work on quantifying covalent modifications in #proteins
🗓️ 13 October at 15:00 CET
✍️ bioexcel.eu/zu7m
#ComputerSimulation #freeenergy #GROMACS #PMX
🗓️ 13 October at 15:00 CET
✍️ bioexcel.eu/zu7m
#ComputerSimulation #freeenergy #GROMACS #PMX
September 29, 2026 at 1:32 PM
👉 Don't miss the next @bioexcelcoe.bsky.social #Webinar with 〰️Carter! @carterjwilson.bsky.social @mpi-nat.bsky.social #GROMACS #proteins #PMX
Reposted by Maksim Kalutskii
The kinetochore is essential for cell division across species, but its components and organization evolve dramatically. How can that be? Our first foray into this fascinating question is up now on biorxiv: 🧪 1/12
www.biorxiv.org/content/10.6...
www.biorxiv.org/content/10.6...
Kinetochore diversification in Naegleria reveals plasticity in the kinetochore-microtubule interface
The kinetochore--the molecular machine that couples chromosomes to spindle microtubules--performs an essential, tightly regulated function, yet varies dramatically across eukaryotes. Microtubules are ...
www.biorxiv.org
August 19, 2026 at 6:58 PM
The kinetochore is essential for cell division across species, but its components and organization evolve dramatically. How can that be? Our first foray into this fascinating question is up now on biorxiv: 🧪 1/12
www.biorxiv.org/content/10.6...
www.biorxiv.org/content/10.6...
Reposted by Maksim Kalutskii
📢 Join us for our next webinar where Carter J. Wilson from @compbiophys.bsky.social will present our latest work on quantifying covalent modifications in #proteins
🗓️ 13 October at 15:00 CET
✍️ bioexcel.eu/zu7m
#ComputerSimulation #freeenergy #GROMACS #PMX
🗓️ 13 October at 15:00 CET
✍️ bioexcel.eu/zu7m
#ComputerSimulation #freeenergy #GROMACS #PMX
September 25, 2026 at 8:49 AM
📢 Join us for our next webinar where Carter J. Wilson from @compbiophys.bsky.social will present our latest work on quantifying covalent modifications in #proteins
🗓️ 13 October at 15:00 CET
✍️ bioexcel.eu/zu7m
#ComputerSimulation #freeenergy #GROMACS #PMX
🗓️ 13 October at 15:00 CET
✍️ bioexcel.eu/zu7m
#ComputerSimulation #freeenergy #GROMACS #PMX
Reposted by Maksim Kalutskii
New preprint: We demonstrate how to apply FEP-based ligand efficacy modeling to ion channels.
#CompChem 💻:⚗️ #Science 🧪 #DrugDiscovery #IonChannel #FEP
doi.org/10.64898/202...
#CompChem 💻:⚗️ #Science 🧪 #DrugDiscovery #IonChannel #FEP
doi.org/10.64898/202...
September 25, 2026 at 1:55 AM
New preprint: We demonstrate how to apply FEP-based ligand efficacy modeling to ion channels.
#CompChem 💻:⚗️ #Science 🧪 #DrugDiscovery #IonChannel #FEP
doi.org/10.64898/202...
#CompChem 💻:⚗️ #Science 🧪 #DrugDiscovery #IonChannel #FEP
doi.org/10.64898/202...
Excited to share our new preprint! 📜
Here, we used CALVADOS and ultra-CG models to show how the kinetochore establishes a robust attachment to the dynamic microtubule end.
Spoiler: IDRs 🧵 1/n
www.biorxiv.org/content/10.6...
Here, we used CALVADOS and ultra-CG models to show how the kinetochore establishes a robust attachment to the dynamic microtubule end.
Spoiler: IDRs 🧵 1/n
www.biorxiv.org/content/10.6...
September 23, 2026 at 3:27 PM
Excited to share our new preprint! 📜
Here, we used CALVADOS and ultra-CG models to show how the kinetochore establishes a robust attachment to the dynamic microtubule end.
Spoiler: IDRs 🧵 1/n
www.biorxiv.org/content/10.6...
Here, we used CALVADOS and ultra-CG models to show how the kinetochore establishes a robust attachment to the dynamic microtubule end.
Spoiler: IDRs 🧵 1/n
www.biorxiv.org/content/10.6...
Reposted by Maksim Kalutskii
Our Garnet paper is now out in final form: a protein and small molecule force field trained from scratch, with competitive results for binding free energy prediction.
pubs.rsc.org/sc/article/d...
pubs.rsc.org/sc/article/d...
September 18, 2026 at 9:58 AM
Our Garnet paper is now out in final form: a protein and small molecule force field trained from scratch, with competitive results for binding free energy prediction.
pubs.rsc.org/sc/article/d...
pubs.rsc.org/sc/article/d...
Reposted by Maksim Kalutskii
No predefined reaction coordinate. No mechanistic guesswork. No massive sampling campaign. Gen-COMPAS reconstructs biomolecular transition pathways from endpoint structures alone. Protein folding, allostery, membrane transport. Now in Nature.
@nature.com @springernature.com
@nature.com @springernature.com
September 10, 2026 at 4:39 PM
No predefined reaction coordinate. No mechanistic guesswork. No massive sampling campaign. Gen-COMPAS reconstructs biomolecular transition pathways from endpoint structures alone. Protein folding, allostery, membrane transport. Now in Nature.
@nature.com @springernature.com
@nature.com @springernature.com
Reposted by Maksim Kalutskii
EMBO Practical Course
Integrative modelling of biomolecular interactions
26 – 30 April 2027 | Athens, Greece
Great speakers/teachers (and organizers 😊)
Registration Deadline: 8 November 2026
meetings.embo.org/event/27-bio...
Integrative modelling of biomolecular interactions
26 – 30 April 2027 | Athens, Greece
Great speakers/teachers (and organizers 😊)
Registration Deadline: 8 November 2026
meetings.embo.org/event/27-bio...
September 4, 2026 at 8:51 PM
EMBO Practical Course
Integrative modelling of biomolecular interactions
26 – 30 April 2027 | Athens, Greece
Great speakers/teachers (and organizers 😊)
Registration Deadline: 8 November 2026
meetings.embo.org/event/27-bio...
Integrative modelling of biomolecular interactions
26 – 30 April 2027 | Athens, Greece
Great speakers/teachers (and organizers 😊)
Registration Deadline: 8 November 2026
meetings.embo.org/event/27-bio...
Reposted by Maksim Kalutskii
Preprint with work led by Fran Toplek in Tatiana Morozova's recently established lab in Lyon on refining and testing the Martini models ability to capture properties of IDR condensates including structural and dynamical properties, and ion partitioning.
doi.org/10.64898/202...
doi.org/10.64898/202...
August 30, 2026 at 4:42 PM
Preprint with work led by Fran Toplek in Tatiana Morozova's recently established lab in Lyon on refining and testing the Martini models ability to capture properties of IDR condensates including structural and dynamical properties, and ion partitioning.
doi.org/10.64898/202...
doi.org/10.64898/202...
Reposted by Maksim Kalutskii
In this review, Saishree S. Iyer and Anna Akhmanova discuss the mechanisms controlling plus-end elongation of centriolar and ciliary #microtubules, revealing shared principles. rupress.org/jcb/article/...
📕 Part of #Centrosomes and #Cilia 2026: rupress.org/jcb/collecti...
📕 Part of #Centrosomes and #Cilia 2026: rupress.org/jcb/collecti...
August 25, 2026 at 3:15 PM
In this review, Saishree S. Iyer and Anna Akhmanova discuss the mechanisms controlling plus-end elongation of centriolar and ciliary #microtubules, revealing shared principles. rupress.org/jcb/article/...
📕 Part of #Centrosomes and #Cilia 2026: rupress.org/jcb/collecti...
📕 Part of #Centrosomes and #Cilia 2026: rupress.org/jcb/collecti...
Reposted by Maksim Kalutskii
In work led by Ikki Yasuda in our lab, we extend the CALVADOS ecosystem with a model for double-stranded RNA and DNA and show how it can be used to study differential partitioning into condensates
doi.org/10.64898/202...
doi.org/10.64898/202...
August 18, 2026 at 10:57 AM
In work led by Ikki Yasuda in our lab, we extend the CALVADOS ecosystem with a model for double-stranded RNA and DNA and show how it can be used to study differential partitioning into condensates
doi.org/10.64898/202...
doi.org/10.64898/202...
Reposted by Maksim Kalutskii
Out now in #JACS work led by the talented @nathanieldhess.bsky.social on protein folding inside condensates!! pubs.acs.org/jacsat/artic...
August 20, 2026 at 10:10 PM
Out now in #JACS work led by the talented @nathanieldhess.bsky.social on protein folding inside condensates!! pubs.acs.org/jacsat/artic...
Reposted by Maksim Kalutskii
Two new CALVADOS preprints
Coarse-grained models for simulations of double-stranded nucleic acids for mixed protein-nucleic acid condensates
doi.org/10.64898/202...
MEM-CALVADOS: A Residue-Level Model for Flexible Proteins at Membrane Interfaces
doi.org/10.64898/202...
Coarse-grained models for simulations of double-stranded nucleic acids for mixed protein-nucleic acid condensates
doi.org/10.64898/202...
MEM-CALVADOS: A Residue-Level Model for Flexible Proteins at Membrane Interfaces
doi.org/10.64898/202...
August 18, 2026 at 10:57 AM
Two new CALVADOS preprints
Coarse-grained models for simulations of double-stranded nucleic acids for mixed protein-nucleic acid condensates
doi.org/10.64898/202...
MEM-CALVADOS: A Residue-Level Model for Flexible Proteins at Membrane Interfaces
doi.org/10.64898/202...
Coarse-grained models for simulations of double-stranded nucleic acids for mixed protein-nucleic acid condensates
doi.org/10.64898/202...
MEM-CALVADOS: A Residue-Level Model for Flexible Proteins at Membrane Interfaces
doi.org/10.64898/202...
Reposted by Maksim Kalutskii
Happy to share our new preprint on MEM-CALVADOS! Work led by @rsaltutti.bsky.social extending CALVADOS to flexible proteins at lipid membrane interfaces.
🗞️ doi.org/10.64898/202...
🖥️ github.com/gitesei/MEM-...
@vetenskapsradet.bsky.social
🗞️ doi.org/10.64898/202...
🖥️ github.com/gitesei/MEM-...
@vetenskapsradet.bsky.social
August 18, 2026 at 7:58 AM
Happy to share our new preprint on MEM-CALVADOS! Work led by @rsaltutti.bsky.social extending CALVADOS to flexible proteins at lipid membrane interfaces.
🗞️ doi.org/10.64898/202...
🖥️ github.com/gitesei/MEM-...
@vetenskapsradet.bsky.social
🗞️ doi.org/10.64898/202...
🖥️ github.com/gitesei/MEM-...
@vetenskapsradet.bsky.social
Reposted by Maksim Kalutskii
bioRxiv/medRxiv have been dealing with endless bot attacks recently (plus usual DDOS stuff, etc). Tricky to address without impacting genuine users - many of you affected. Apologies. We're working with our hosting service on solutions & think we're getting there [he shouts in his Red Queen costume].
August 13, 2026 at 3:02 PM
bioRxiv/medRxiv have been dealing with endless bot attacks recently (plus usual DDOS stuff, etc). Tricky to address without impacting genuine users - many of you affected. Apologies. We're working with our hosting service on solutions & think we're getting there [he shouts in his Red Queen costume].
Reposted by Maksim Kalutskii
#ResearchCareer: Just finishing your #PhD and wondering if the DFG’s Walter Benjamin Programme is a funding option for your next step in academia? Come and find out in our info talk on 31 August. No registration, the meeting link will be published here: 👉 www.dfg.de/en/research-...
August 11, 2026 at 9:11 AM
#ResearchCareer: Just finishing your #PhD and wondering if the DFG’s Walter Benjamin Programme is a funding option for your next step in academia? Come and find out in our info talk on 31 August. No registration, the meeting link will be published here: 👉 www.dfg.de/en/research-...
Reposted by Maksim Kalutskii
Thrilled to share our latest work, led by @aryantaheri.bsky.social and Julia Peukes! Using cryo-EM and cryo-ET, we reveal how KIF21B’s distal tail engages multiple tubulin dimers along a protofilament, enabling persistent microtubule attachment and crosslinking.
www.biorxiv.org/content/10.6...
www.biorxiv.org/content/10.6...
July 30, 2026 at 9:18 PM
Thrilled to share our latest work, led by @aryantaheri.bsky.social and Julia Peukes! Using cryo-EM and cryo-ET, we reveal how KIF21B’s distal tail engages multiple tubulin dimers along a protofilament, enabling persistent microtubule attachment and crosslinking.
www.biorxiv.org/content/10.6...
www.biorxiv.org/content/10.6...
Reposted by Maksim Kalutskii
AF-CALVADOS is now published
doi.org/10.1002/pro....
We combine AlphaFold and CALVADOS to simulate flexible multidomain proteins at scale:
— Ensembles of >12000 full-length human proteins
— Comparison of IDRs alone and I n context for >1500 TFs
@sobuelow.bsky.social @kejohansson.bsky.social
doi.org/10.1002/pro....
We combine AlphaFold and CALVADOS to simulate flexible multidomain proteins at scale:
— Ensembles of >12000 full-length human proteins
— Comparison of IDRs alone and I n context for >1500 TFs
@sobuelow.bsky.social @kejohansson.bsky.social
July 10, 2026 at 8:18 PM
AF-CALVADOS is now published
doi.org/10.1002/pro....
We combine AlphaFold and CALVADOS to simulate flexible multidomain proteins at scale:
— Ensembles of >12000 full-length human proteins
— Comparison of IDRs alone and I n context for >1500 TFs
@sobuelow.bsky.social @kejohansson.bsky.social
doi.org/10.1002/pro....
We combine AlphaFold and CALVADOS to simulate flexible multidomain proteins at scale:
— Ensembles of >12000 full-length human proteins
— Comparison of IDRs alone and I n context for >1500 TFs
@sobuelow.bsky.social @kejohansson.bsky.social
Reposted by Maksim Kalutskii
🧵 New paper alert! Today on bioRxiv, we show how a microtubule (MT) associated protein, MTCL1, links 2 regulatory layers: mechanical MT stabilization and writing of then tubulin code. A multi-lab effort driven by Juan Perez-Bertoldi and Julie Dang spanning atoms to organisms. 1/n
July 10, 2026 at 7:25 AM
🧵 New paper alert! Today on bioRxiv, we show how a microtubule (MT) associated protein, MTCL1, links 2 regulatory layers: mechanical MT stabilization and writing of then tubulin code. A multi-lab effort driven by Juan Perez-Bertoldi and Julie Dang spanning atoms to organisms. 1/n
Reposted by Maksim Kalutskii
📢 We're hiring a PhD student (4 years) in computational chemistry at Freie Universität Berlin. Research on molecular dynamics, molecular kinetics, rare events & machine learning. Apply by 3 Aug 2026: jobs.fu-berlin.de/job/Research... #CompChem
Research assistant (praedoc) (f/m/d) DM-786
Research assistant (praedoc) (f/m/d) DM-786
jobs.fu-berlin.de
July 8, 2026 at 9:25 AM
📢 We're hiring a PhD student (4 years) in computational chemistry at Freie Universität Berlin. Research on molecular dynamics, molecular kinetics, rare events & machine learning. Apply by 3 Aug 2026: jobs.fu-berlin.de/job/Research... #CompChem