Learn about Biomolecular modelling and simulations.

Another wonderful collaboration with Alan Brown lab. The Zhang lab together with Polina Lishko lab (co-first author Qingwei Niu) contribute the doublet microtubule structure from Crithidia fasciculata, a model organism that infects mosquitoes. science.org/doi/10.1126/sc…

#compchem New preprint: "The Q-AMOEBA (CF) Polarizable Potential". arxiv.org/abs/2502.12708 Improved Q-AMOEBA polarizable water model with inclusion of quantum nuclear effects and its extensions (ions + organic molecules). Great work by Mauger Nastasia & another nice

New online! The mechanochemical cycle of reactive full-length human dynein 1 bit.ly/3EIW4ku

Bavarian blonde #beers may trace their origins to #Patagonia. In PNAS Journal Club: ow.ly/qIy250VKLho #yeast #Bavaria #beer #fermentation

The Theoretical and Computational Biophysics Group is pleased to announce the 63rd "Hands-on" Workshop on Computational Biophysics (tcbg.illinois.edu/Training/Works…) to be held August 4-8, 2025 at Auburn University in Auburn, Alabama.

🚨 Apply now for the 63rd Hands-on Workshop on Computational Biophysics! 📍 Auburn University | 📅 Aug 4–8, 2025 🔬 Learn #NAMD & #VMD from experts 👩‍💻 In-person | Free | 35 spots only ⏳ Apply by June 20 🔗 aub.ie/Workshop2025 #CompBiophysics #MolecularDynamics

I have a poster at CCPBioSim presenting our new development on GCMC RBFE. See you in Southampton. #CCPBioSim

MDZip: Neural Compression of Molecular Dynamics Trajectories for Scalable Storage and Ensemble Reconstruction 1. MDZip is a novel neural compression framework that achieves over 95% reduction in storage size for molecular dynamics (MD) trajectories while preserving essential

I am thrilled to share that the work from my PhD is now available as a preprint on bioRxiv. Follow the link below to find out more about the role of PANEM in facilitating interaction between chromosomes and the mitotic spindle! biorxiv.org/content/10.110…

BREAKING NEWS The Royal Swedish Academy of Sciences has decided to award the 2025 #NobelPrize in Physics to John Clarke, Michel H. Devoret and John M. Martinis “for the discovery of macroscopic quantum mechanical tunnelling and energy quantisation in an electric circuit.”

A PhD position within the SPP2389 Bacteria! Beyond the single cell! is available in my lab to work on: Emergence and self-organisation of bacterial metabolism in consortia of cross-feeding bacteria. Please RT Deadline: 12.11.25 More infos 👇 shorturl.at/rAKAT

Two back-to-back stories on mitosis led by my incredible postdoc Kruno Vukušić at Ruđer Bošković Institute, in which we challenge the gliding model of CENP-E-driven chromosome congression! Today in Nature Communications doi.org/10.1038/s41467… doi.org/10.1038/s41467…

An optimized contact map for GōMartini 3 enabling conformational changes in protein assemblies biorxiv.org/content/10.110…

🚀 Thrilled to launch DeepScholar, an openly-accessible DeepResearch system we've been building at Berkeley & Stanford. DeepScholar efficiently processes 100s of articles, demonstrating strong long-form research synthesis capabilities, competitive with OpenAI's DR, while running

Our latest work is out in biorxiv! 😊 We show that human spastin, a microtubule severing enzyme, behaves completely differently in presence of free tubulin - it forms tubulin ring stack and promotes de novo microtubule nucleation. biorxiv.org/content/10.110…

Happy to share to share our cryoEM Ensemble Optimization method! 🎉 It infers optimal structures and their weights directly from individual cryoEM images - no maps just physics! with David Sliva-Sánchez, Erik Thiede & Roy Lederman  biorxiv.org/content/10.648…

AlphaFold predictions are valuable hypotheses and accelerate but do not replace experimental structure determination | Nature Methods nature.com/articles/s4159…

R.I.P Google Scholar. I'm going to share the 10 Perplexity prompts that turn research from a chore into a superpower. Copy & paste these into Perplexity right now: