Domino effect in allosteric signaling of peptide binding: We apply a novel method to analyse complex MD data and elucidate allosteric pathways without previous knowledge of the system. Check Journal of Molecular Biology for more. Pablo Vargas caflisch sciencedirect.com/science/articl…

We used in-silico methods to design binders for the m6A reader protein YTHDC1, leading to highly efficient lead compound and thus pushing the field to the forefront. @ELSchemistry caflisch doi.org/10.1016/j.ejmc…

Little is known about the potential interactions between flexible tail, globular domain, and the membrane. Here, we used atomistic simulations to investigate how these interactions are modulated. Biophysical Journal Ioana M. Ilie - @biosim-lab.bsky.social Marco Bacci caflisch authors.elsevier.com/a/1fGLB1SPT0Eg…

Molecular dynamics simulations at different temperatures suggest structural reasons for the distinct behavior of two microbial transglutaminases. Cassiano Langini caflisch CSBJ sciencedirect.com/science/articl…

Antibody binding makes the prion protein more flexible! #compchem #prions sciencedirect.com/science/articl… @BBAjournals

Here, we investigate the influence of the POM1 and POM6 antibodies on the flexibility of the mouse prion protein (PrP) by molecular dynamics simulations. #prions #compchem Ioana M. Ilie - @biosim-lab.bsky.social @BBAjournals sciencedirect.com/science/articl…

We have identified and characterized by x-ray crystallography the first small-molecule ligands of the m6A-reader YTHDF2. Two of them features good ligand efficiency, providing a starting point for hit optimization. ACS Med Chem Lett ACS Publications pubs.acs.org/doi/10.1021/ac…

Which features of the spiking activity capture better the working memory processes of the human brain? Check this out in our latest work ! doi.org/10.1093/texcom…

Structure-based design of inhibitors of the m6A-RNA writer enzyme #METTL3 By Amedeo Caflisch et al Universität Zürich caflischgroup  🔓 Open access in ACS Bio & Med Chem Au 👉 go.acs.org/5cr

Check our new work on Decrypting Integrins by Mixed-Solvent Molecular Dynamics Simulations Ioana M. Ilie - @biosim-lab.bsky.social JCIM & JCTC Journals pubs.acs.org/doi/10.1021/ac…

Please check out the UZH Award for Research in Brain Diseases that will be presented for the 18th time on Thursday, July 13, 2023. All the information down here 👇: linkedin.com/feed/update/ur… University of Zurich

Disrupting dimeric β-amyloid by electric fields By Amedeo Caflisch et al University of Zurich caflischgroup #Alzheimers 🔓 Open access in ACS Physical Chemistry Au 👉 go.acs.org/5uS

Disrupting dimeric β-amyloid by electric fields By Amedeo Caflisch et al University of Zurich caflischgroup #Alzheimers 🔓 Open access in ACS Physical Chemistry Au 👉 go.acs.org/5v4

Check out this new work on the reevaluation of bromodomain ligands targeting BAZ2A 👇👇 Nevado Group Graziano University of Zurich Università di Trento onlinelibrary.wiley.com/doi/10.1002/pr…

New story out: we reveal the first inhibitors of the m7G-RNA writer METTL1. ACS Publications Bio & Med Chem Content pubs.acs.org/doi/10.1021/ac…

🔬Unveiling the first CRBN-based PROTACs for the METTL3-14 m6A-RNA writer 🧬Opening new possibilities in epitranscriptomics research 🌐 Check out our most recent publication in JACS Au 👇@uzh JACS Au pubs.acs.org/doi/10.1021/ja…

✨🧬Thrilled to announce our latest study on #JMedChem: A structure-based design of a powerful inhibitor targeting YTHDC1, a key m6A reader. Congrats to FZ and all the team! #DrugDiscovery Discover more in the link below 👇👇👇 pubs.acs.org/doi/full/10.10…