Job alert 📣 Our faculty looks for a Junior Professor W1 with tt to W2 in Membrane Biology! We are looking for #ECRs working on membrane biogenesis,contact sites,composition & other aspects of membranes in 🌱 and other organisms! DM me if you need more details! jobs.ruhr-uni-bochum.de/jobposting/f...

🎉 Congrats to @kgaurav.bsky.social, Lukas Stelzl & @reneketting.bsky.social (SFB1551) on their new Biophysical Journal paper! #MUT16 #PhaseSeparation #MutatorFoci #SmallRNA #GeneRegulation #Celegans #ProteinAssembly #RNAResearch #MultiscaleSimulations Great teamwork👏👏👏 www.cell.com/biophysj/ful....

Very happy to release AutoMartiniM3 for Martini3 to automatize CG modelling of small molecules and fragments. Great work from M Szczuka in my lab in collab with @pauloctsouza.bsky.social and @tbereau.bsky.social teams! Give it a try: github.com/Martini-Forc... poke @cg-martini.bsky.social

Very excited to be recruiting for an Associate Principal Scientist: Molecular Modeling, Analytical Research & Develop. Our Digital Sciences team is seeing many requests related to influencing formulation design, especially for biologics. #chemjobs #compchem #chemsky jobs.merck.com/us/en/job/R3...

Martini workshop registration now open !!!! See cgmartini.nl for details and how to apply. Looking forward to seeing you in Groningen, Aug 11-15th.

🚨Publication alert🚨 "Molecular simulations of enzymatic phosphorylation of disordered proteins and their condensates" by Emanuele Zippo, @lstelzl.bsky.social, @dormannlab.bsky.social & Thomas Speck. Congratulations!! 📄 www.nature.com/articles/s41... #TDP43 #CK1δ #ALS #biophysics #proteincondensates

Pre-announcement: MARTINI tutorial workshop, August 11-15th 2025 in Groningen, The Netherlands !! Learn basic and advanced Martini from the cocktail masters themselves. Registration will open soon.

Excited to share our preprint on the molecular architecture of heterochromatin in human cells 🧬🔬w/ @jpkreysing.bsky.social, @johannesbetz.bsky.social, @marinalusic.bsky.social, Turoňová lab, @hummerlab.bsky.social @becklab.bsky.social @mpibp.bsky.social 🔗 Preprint here tinyurl.com/3a74uanv

Job alert: Join us in Mainz as Max Planck Research Group Leader (W2) in Molecular Design ...and make your own research dreams happen on de novo design, generative models, proteins, materials ... tinyurl.com/r2xjxnuk @mpip-mainz.mpg.de

Our paper on prediction of phase-separation propensities of disordered proteins from sequence is now published: www.pnas.org/doi/10.1073/... The paper has been substantially updated compared to the preprint including new experimental data and using the neural network to finetune CALVADOS. 1/n

We’re looking for fellow nerds to help us make disordered proteins druggable. Love #IDPs, #MD, #NMR, #AI, #DrugDiscovery, or #MassSpec? Let’s talk. @bindresearch.org is hiring across the board: bindresearch.org/careers/ #compchem #compbio #NMRChat #TeamMassSpec #chemjobs @chemjobber.bsky.social

Martini 3 - IDP is out! Improved parameters for disordered proteins, great work from Liguo Wang: www.nature.com/articles/s41...

We are organizing a conference for young researchers at the intersection between physics & biology: www.embl.org/about/info/c... @embl.org @events.embl.org @intcha.bsky.social Please consider applying/registering -- the deadline is already in one week!

Traveling to San Diego for ACS. Really looking forward to the meeting ☺️.l!

CALVADOS now has parameters for phosphorylated amino acids @asrauh.bsky.social @giuliotesei.bsky.social and Gustav Hedemark used a top-down approach in which we targeted experimental data to derive parameters or phosphorylated serine and threonine doi.org/10.1101/2025...

Protein dynamics was the first research to enchant me >10yrs ago, but I left in PhD bc I couldn't find big experimental data to evaluate models. Today w @ginaelnesr.bsky.social, I'm thrilled to share the big dynamics data I've been dreaming of, and the mdl we trained w them: Dyna-1. 📝: rb.gy/de5axp

New paper from the Voelz Lab in @pccp.rsc.org! Goold et al. performed many parallel expanded ensemble free energy simulations on @foldingathome.org using GROMACS (@gromacs.bsky.social) with OpenFF 2.0 (@openforcefield.org) to make blind logP predictions in SAMPL9 doi.org/10.1039/D4CP...

Cool stuff from our collaboration with @mxhend.bsky.social: the fold of tau filaments matters for seeding in primary cultures & in live mice: the AD fold is more seeding efficient than non-AD folds! But that's not all: phosphorylation of the fuzzy coat matters too. 🤩 www.biorxiv.org/content/10.1...

Just dropped on bioRxiv! Our team has assembled a data-driven map of the human E3 ligome. Check out our preprint! #E3_ligome #ubiquitination #dataIntegration #metriclearning www.biorxiv.org/content/10.1...

Our review on machine learning methods to study sequence–ensemble–function relationships in disordered proteins is now out in COSB authors.elsevier.com/sd/article/S... Led by @sobuelow.bsky.social and Giulio Tesei

Go and work with @reidalderson.bsky.social !!!

New Preprint ‼️ Work led by the incredible @ananyac2000.bsky.social 💃🏽💃🏽 Mpipi-T is finally here!!! 🥳🥳 👇🏽👇🏽 www.biorxiv.org/content/10.1...

CALVADOS 🤝 PEG Work from @asrauh.bsky.social on a simple model for polyethylene glycol to study the effects of crowding on IDPs

We’re hiring a computational biologist in Heidelberg DE or Stevenage UK to work on a pretty ambitious project with fun people for the year www.linkedin.com/jobs/view/41...

CALVADOS-RNA is now published doi.org/10.1021/acs.... This is a simple model for flexible RNA that complements and works with the CALVADOS protein model. Work led by Ikki Yasuda who visited us from Keio University. Try it yourself using our latest code for CALVADOS github.com/KULL-Centre/...

A brilliant, kind, funny colleague gone too soon. We will miss you Bela. www.merton.ox.ac.uk/news/remembe...

Great opportunity for clinicians to gain early-career experience in a fully-funded, translational medicine programme in Oxford. If you know anyone interested, please share this link. There is a wide range of projects, including mine. Deadline Fr 14 March 2025 www.ox.ac.uk/admissions/g...

The BioEmu-1 model and inference code are now public under MIT license!!! Please go ahead, play with it and let us know if there are issues. github.com/microsoft/bi...

Introducing Mpipi-Recharged🔥🔥🔥 Our Mpipi coarse-grained model for biomolecular condensates now includes a pair-specific electrostatic potential that improves its predictions, including for challenging charged systems—all while still treating solvent and ions implicitly pubs.acs.org/doi/10.1021/...

🧬🧪Protein codes promote selective subcellular compartmentalization | Science www.science.org/doi/10.1126/... Henry Kilgore @itamarchinn.bsky.social @pgmikhael.bsky.social Ilan Mitnikov, et al. @aihealthmit.bsky.social @whiteheadinstitute.bsky.social @mitofficial.bsky.social

Very nice to see the work of Matt Warren and Isak Valsson just out with Charlotte Deane, Aniket Magarkar and @garrettmm.bsky.social where we show how augementation can dramatically improve ML affinity predictions to close to FEP accuracy. rdcu.be/d88Wm

The deadline for applications to our Summer School on Biomolecular Simulations 2025 is fast approaching ❗️ 🧑‍🎓Learn from the code developers, build your network and present your work Submit your application by 14 February ➡️ bit.ly/4ihQCUI

Check out our new paper! Protein assembly in membranes is crucial yet elusive. Why steer when you can just observe? We introduce a bias-free simulation method that captures the full picture of transmembrane dimerization—free energies, mechanisms, and rates! pubs.acs.org/doi/10.1021/...

The BioExcel Summer School on Biomolecular Simulations is our flagship training event. Now in its 8th year it always receives outstanding reviews: 📽️https://www.youtube.com/watch?v=ad9EKOVScMc Don't miss out on the chance to participate ➡️ bit.ly/4ihQCUI Deadline for applications is 14 February!

What is the multiscale structure of chromatin condensates? How does it shape thermodynamic and material properties? We address this at near-atomistic resolution🔥🔥🔥 using cryoET (Rosen & Villa labs, led by H Zhou), a new multiscale model (K Russell) and cryoET-guided sims (J Huertas & J Maristany)

In the cover story of the February issue of @sciam.bsky.social I explain what biomolecular condensates are and why they are transforming cell biology. A short 🧵 (You'll need a subscription to read the article.) www.scientificamerican.com/article/myst...

Applications are now open for UNIQ+ @ox.ac.uk (deadline Wed 19 February 2025)! We're delighted to be offering a project on Nanobody Language Modelling. Learn about deep learning and language modelling and gain experience applying these methods to nanobody sequences www.ox.ac.uk/admissions/g...

Interested in computational NMR? Join us in beautiful Switzerland in June! Many slots for selected talks and great hiking opportunities. GRC conference 1-6th of June with GRS ( @chrisdkolloff.bsky.social and Stase) on 30.05. please share @nmr900.bsky.social www.grc.org/computationa...

Please share! There are two postdoc opportunities at the Molecular and Statistical Biophysics group at SISSA. Join us in beautiful Trieste! More information at msb.sissa.it/join-us/

New review / perspective with @albertilab-tud.bsky.social on our thoughts on condensate speciality and recruitment, focusing on interplay between site specific and chemically specific interactions www.cell.com/molecular-ce...

Nature research paper: Targeting FOXM1 condensates reduces breast tumour growth and metastasis https://go.nature.com/4g7BNC8

Come join us at this year's Basel Computational Biology Conference (8 - 10 Sept). Call for abstracts for talks and posters bc2.ch/talks-poster... I will be co-chairing with @ninjani.bsky.social the computational structural biology session.

Interested in building the future of open source ligand- and structure-based ML models for ADMET prediction? The ARPA-H funded OMSF (@omsf.bsky.social) OpenADMET project is hiring multiple positions to build ML models of ADMET properties and drive informative data collection! openadmet.org/jobs/

The @cecamevents.bsky.social Flagship Workshop is coming to Madison! Hosted at @datascience_uw(thanks!), organized by @drgregbowman.bsky.social, @bettinagkeller.bsky.social, and me (CECAM-US-CENTRAL). We have slots for contributed talks - apply here (deadline: June 11): www.cecam.org/workshop-det...

1/ 🚨We’re thrilled to share our latest study: "Cellular Function of a Biomolecular Condensate Is Determined by Its Ultrastructure" 🌟 www.biorxiv.org/content/10.1... How do biomolecular condensates achieve their cellular roles? It comes down to their internal structure. 🧵⬇️

Nucleosome spacing can fine-tune higher order chromatin assembly [labs of Rosana Collepardo-Guevara and Michael Rosen] www.biorxiv.org/content/10.1... ▶️phase separation is decided by trade-off between inter- and intramolecular nucleosome stacking, favoured by 10N+5 and 10N bp linkers, respectively

Check out @rasmusnorrild.bsky.social's work with Alex Buell and Joe Rogers developing and using Condensate Partitioning by mRNA-Display to probe phase separation of ~100.000 sequences, and @sobuelow.bsky.social's simulations to support and analyse the experiments www.biorxiv.org/content/10.1...

Since several people mentioned how this suggests that the first components in a PCA (etc) may not always be the relevant modes, I was reminded of now 15-year-old work from Hub and de Groot on ‘functional mode analysis’ to finds motions that correlate with function doi.org/10.1371/jour...

If you're looking for a (fully funded) PhD position in #ml / #ai methodology (with plenty of opportunities to apply it) at the intersection of #chemistry and #biology, don't forget to apply before the end of the year. www.wur.nl/en/vacancy/p...