Natacha Gillet (organiser) in front of the screen, opening the meeting.

Truly happy to be in Lyon for this @cecamevents.bsky.social workshop on accessibility, inclusivity and visibility in Computational Chemistry.
Sometimes it's important to take a break from the rat race and reflect on how we want to do science, and the community we want to build.

Tau pSer396 and pSer404 Define Distinct Epitope Regions Linked to Different Antibody Functions www.biorxiv.org/content/10.64898/2026.04...

New preprint in which we built and simulated full-length models of α-Synuclein fibrils to reveal how the fuzzy coat mediates selective binding of peptides to amyloid fibrils

Work led by Carlos Pintado-Grima in a nice collaboration with Salvador Ventura's lab

doi.org/10.64898/202...

Full-Length Molecular Models of Brain-Derived α-Synuclein Fibrils Reveal a Fuzzy-Coat-Mediated Mechanism for Selective Peptide Binding www.biorxiv.org/content/10.64898/2026.04...

Feels like this paper on protein-templated DNA synthesis by a natural enzyme warrants some comment.
So here's a 🧵. /1
www.science.org/doi/10.1126/...

Zero-Shot Generation of Protein Conformational Ensembles Through AlphaFold Latent Flooding www.biorxiv.org/content/10.64898/2026.04...

The Effects of Phosphorylation on the Structure and Function of Motif A, an Intrinsically Disordered Region within SIRT1 www.biorxiv.org/content/10.64898/2026.04...

Ionic strength modulates structural disorder and protein oligomerization in the marginally disordered Phd transcription factor www.biorxiv.org/content/10.64898/2026.04...

Verily, the ensembles from NMR are but likenesses, and reveal not the true motions of the living protein

Proudly presenting work from my student Liguo Wang, who systematically compared condensates formed by full-length MDPs to IDR-only systems.

We have some fresh and cool #glycotime 🧪 on the impact of including glycosylation explicitly in de novo binder design. Filtering the results of a recent open competition for novel binders to the Nipah Virus Glycoptrotein (NiV-G) with ReGlyco improves the pipeline efficiency significantly ⬇️

Proteome-wide identification and modeling of interactions between transactivation domains and arginine-glycine-rich regions www.biorxiv.org/content/10.64898/2026.04...

Differential effects of α-Synuclein monomers and seeds on the material properties of Tau condensates www.biorxiv.org/content/10.64898/2026.04...

Congratulations @scicadm.bsky.social on your 2026 CNRS Bronze Medal ! 🎉🏅

Backbone rigidity of disordered protein linkers from NMR experiments and MD simulations Disordered protein linkers are essential for multidomain protein function and engineering, but quantitative methods for their biophysical characterization remain limited. We combined NMR experiments…

#OPENACCESS: The authors develop an integrated approach combining NMR spin relaxation measurements with MD simulations to quantify backbone rigidity in short, disordered peptides, the study helped correlate the sequence effects on the linker properties.

Tau-Mediated Cytoskeletal Stabilization Modulates Cell Mechanics and Vulnerability to Mechanical Strain www.biorxiv.org/content/10.64898/2026.04...

Run an MD simulation of any protein in the AlphaFold Protein Structure Database using AF-CALVADOS

Thanks to @sobuelow.bsky.social AF-CALVADOS is now on Colab

colab.research.google.com/github/KULL-...

Single-particle light scattering reveals the dynamic heterogeneity of biomolecular condensates www.biorxiv.org/content/10.64898/2026.04...

How Generative Models Approach Molecular Conformational Sampling www.biorxiv.org/content/10.64898/2026.04...

Full-Length Structural Modeling of Mitofusins with AlphaFold Reveals a Novel Cross-Type Dimerization and Insights into Oligomerization www.biorxiv.org/content/10.64898/2026.04...

Infection Tunes the Dynamics of Adenoviral E1A Disordered Regions www.biorxiv.org/content/10.64898/2026.04...

Learning latent conformational landscapes encoded in cryo-EM www.biorxiv.org/content/10.64898/2026.04...

Generative design of intrinsically disordered protein regions with IDiom www.biorxiv.org/content/10.64898/2026.04...

Asking subject organisms in biological studies if they consent to take part in experiments can reduce selection bias.

PDF: www.immaterialscience.org/2026/plantco...

Stage-dependent tau post-translational modifications map the spatiotemporal progression of Alzheimer's disease www.biorxiv.org/content/10.64898/2026.04...

Graphical abstract for pre-print showing a) theoretical model for thermostability, b) a GUI based analysis platform, c) protein denaturation data of mini-binders assessed by nanoDSF and d) a correlation plot that shows the de novo designed mini-binders have a much lower deltaCp than expected for a protein of their size.

Why are de novo designed proteins so extremely thermostable?

We try to answer this question by dissecting the thermodynamics of unfolding of mini-binders emerging from our protein design pipeline – and establish a convenient GUI for data analysis in the process.

doi.org/10.64898/202...

🚀 The af_analysis GUI is out!

Load datasets, compute advanced scores (ipSAE, LIS, pDockQ2…), cluster models, and explore PAE matrices + Mol* interactively.

Install with:
pip install af_analysis[gui]

github.com/samuelmurail...

Microtubules in the axon are GDP bound but adopt a stable GTP-like expanded state Nature Structural & Molecular Biology, Published online: 08 April 2026; doi:10.1038/s41594-026-01787-7Zehr et al. revealed the 2.7-Å cryo-electron microscopy reconstruction of human microtubules in situ in the axon of induced pluripotent stem cell (iPS cell)-derived neurons. It shows an expanded microtubule lattice yet bound to GDP, in contrast to the compacted lattice observed at the iPS cell stage.

New online: Microtubules in the axon are GDP bound but adopt a stable GTP-like expanded state

Modeling disorder, secondary structure formation, and amyloid growth in FG-nucleoporins www.biorxiv.org/content/10.64898/2026.04...

Exploiting internal symmetry can be a powerful approach to analyse convergence in MD simulations.

If two conformational states are symmetry related, their kinetic and thermodynamic properties should be the same. If one doesn't enforce this during analysis this provides a useful test. 1/n