Assistant Prof. @UvA | amyloids, multiscale soft matter, computational peptide design, smart (adaptable) biomaterials, CompChemhttps://bsky.app/profile/biosim-lab.bsky.socialhttps://bsky.app/profile/biosim-lab.bsky.social/post/3mfzivwg7ss2xWe uncover the physical mechanisms governing nanoparticle–membrane interactions using coarse-grained simulations, mapping distinct regimes from adhesion to wrapping. A step toward predictive design rules for nanomedicine & adaptive materials https://pubs.aip.org/aip/jcp/article-lookup/doi/10.1063/5.031051201 Mar 2026 19:45 +0000at://did:plc:6qew2obcmnksembaxb3uhng5/app.bsky.feed.post/3mfzivwg7ss2xhttps://bsky.app/profile/biosim-lab.bsky.social/post/3lzfvlyopgc2iEvery 3 seconds, someone develops dementia. Here, I explain how we use AI and molecular simulations to understand what happens at the nanoscale in the brain, and how that can open new avenues for prevention and treatment of Parkinson’s and other dementias. https://www.eye-openers.nl/en/seethecast/ioana-m-ilie/22 Sep 2025 07:37 +0000at://did:plc:6qew2obcmnksembaxb3uhng5/app.bsky.feed.post/3lzfvlyopgc2ihttps://bsky.app/profile/biosim-lab.bsky.social/post/3lzfvlyopgc2iEvery 3 seconds, someone develops dementia. Here, I explain how we use AI and molecular simulations to understand what happens at the nanoscale in the brain, and how that can open new avenues for prevention and treatment of Parkinson’s and other dementias. https://www.eye-openers.nl/en/seethecast/ioana-m-ilie/22 Sep 2025 07:37 +0000at://did:plc:6qew2obcmnksembaxb3uhng5/app.bsky.feed.post/3lzfvlyopgc2ihttps://bsky.app/profile/biosim-lab.bsky.social/post/3llqszgviss22🚨 New paper out — and it made the cover! @materialsadvances.rsc.org We designed peptide inhibitors that bind to Bax, modulating apoptosis via MD simulations & rational design. 🧬 Check it out: tinyurl.com/BaxPep Paving the way for ML-powered peptide design! #PeptideDesign #CompChem tinyurl.com/BaxPep01 Apr 2025 11:57 +0000at://did:plc:6qew2obcmnksembaxb3uhng5/app.bsky.feed.post/3llqszgviss22https://bsky.app/profile/biosim-lab.bsky.social/post/3ljz3rwn3pc2xComputational design of Bax-inhibiting peptides Tom & Bernadette 🧩 Designed cyclic peptides to bind Bax 💡 Optimized via molecular dynamics 🖥️ Validated high-affinity binders @materialsadvances.rsc.org Paving the way for ML-powered peptide design! #PeptideDesign #CompChem tinyurl.com/BaxPep https://tinyurl.com/BaxPep10 Mar 2025 08:05 +0000at://did:plc:6qew2obcmnksembaxb3uhng5/app.bsky.feed.post/3ljz3rwn3pc2xhttps://bsky.app/profile/biosim-lab.bsky.social/post/3ljz3rwn3pc2xComputational design of Bax-inhibiting peptides Tom & Bernadette 🧩 Designed cyclic peptides to bind Bax 💡 Optimized via molecular dynamics 🖥️ Validated high-affinity binders @materialsadvances.rsc.org Paving the way for ML-powered peptide design! #PeptideDesign #CompChem tinyurl.com/BaxPep https://tinyurl.com/BaxPep10 Mar 2025 08:05 +0000at://did:plc:6qew2obcmnksembaxb3uhng5/app.bsky.feed.post/3ljz3rwn3pc2xhttps://bsky.app/profile/biosim-lab.bsky.social/post/3lgilnjz6zk2lCheck out the cool Metaparticles of @m-paesani.bsky.social highlighted in #Scilight https://pubs.aip.org/aip/sci/article/2025/4/041101/3332086/Tuning-and-modeling-nanoparticles-with-flexible Full paper: https://pubs.aip.org/aip/jcp/article/161/24/244905/3328202/Metaparticles-Computationally-engineered #chemsky #metaparticle #compchem #softmatter24 Jan 2025 14:18 +0000at://did:plc:6qew2obcmnksembaxb3uhng5/app.bsky.feed.post/3lgilnjz6zk2lhttps://bsky.app/profile/biosim-lab.bsky.social/post/3lfac62ycxc2hTo celebrate the debut of 2025, it's my pleasure to announce the next edition of our online PhD+ seminar series with talks by Clint van Hoesel from @tueindhoven.bsky.social and Fabian Lie from @utwente.bsky.social Subscribe for the Zoom link kncv-ctc-phdplus-seminars.nl @hybridlinn.bsky.social08 Jan 2025 13:42 +0000at://did:plc:6qew2obcmnksembaxb3uhng5/app.bsky.feed.post/3lfac62ycxc2h