Ioana M. ILIE

Physical mechanisms of nanoparticle–membrane interactions: A coarse-grained study Nanoparticles are promising drug carriers for targeted therapies, diagnostic imaging, and advanced vaccines. However, their clinical translation is limited by c

We 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

pubs.aip.org/aip/jcp/arti...

Ioana M. Ilie - When the brain forgets itself Ioana Ilie seeks to understand and develop novel therapies against dementia-related diseases such as Parkinson’s and Alzheimer’s by using computer simulations and AI to study the proteins involved.

Every 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.
www.eye-openers.nl/en/seethecas...

Today we had the ceremonial handover of the keys to APNet from our previous president, Ioana Ilie (@biosim-lab.bsky.social), to our new president, @stephanhacker2.bsky.social! (1/3)

#AssistantProfessor #Network #Keys

Thank you so much, Ioana Ilie (@biosim-lab.bsky.social), for coming up with this cool tradition of handing over the keys to APNet. I will do my best to follow the great example that you set for the engagement and excitement of president of @apnet.bsky.social and will keep this amazing new tradition.

#NWOCHAINS comes to an end with the closing ceremony led by Ioana Ilie (@biosim-lab.bsky.social)!

I had two days of exciting science and learned a lot. Thank you to everyone, who was involved in organizing and who contributed to the program. Congratulations to all winners of the poster prizes!

The scientific program of #NWOCHAINS starts with the opening words by Sandra de Keijzer, head of NWO Chemistry and Physics, and Ioana Ilie (@biosim-lab.bsky.social), chair of the programme committee of CHAINS.

#ChemSky #ChemBio #Conferencing

If you are interested in APNet's activities, join us by becoming a member: www.ap-net.nl/register

We are looking forward to a great year for APNet and to hopefully welcoming you to our next in-person event next year. (10/10)

We opened with our General Assembly, in which our president Ioana Ilie (@biosim-lab.bsky.social) gave an overview of APNet's mission and activities in the last year. (2/10)

Ready to be a voice for Assistant Professors?

Join the APNet board! We're looking for new members e.g. in the role of secretary, community lead, social media lead, union liaison or website manager.

Make an impact with a great team. DM us or email info@ap-net.nl to learn more! #Academia #Leadership

Ioana M. Ilie - When the brain forgets itself Ioana Ilie seeks to understand and develop novel therapies against dementia-related diseases such as Parkinson’s and Alzheimer’s by using computer simulations and AI to study the proteins involved.

Every 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.
www.eye-openers.nl/en/seethecas...

Ioana M. Ilie - Wanneer de hersenen zichzelf vergeten Ioana Ilie probeert grip te krijgen op ziektes als dementie door gerelateerde eiwitten te bestuderen met computersimulaties en AI.

Great 1-minute eye-opener pitch by Ioana Ilie (@biosim-lab.bsky.social, video in English) on the importance of her group's research into addressing neurodegenerative diseases like #ParkinsonsDisease and #Alzheimer using computational technologies and AI!
www.eye-openers.nl/nl/seethecas...
#Chemsky

Spread the word - we at @stanford-chemh.bsky.social are searching to fill a new junior faculty at the interface of molecular and computational science. See link below!

PhD scholarship in Machine Learning for Molecules - DTU Chemistry Advance large scale data generation for chemical and biological AI in a 3 year PhD. Work on the frontier of active learning, and develop novel probabilistic machine learning techniques for experiment ...

Want to work at the frontier of active learning and AI-guided experimentation? @eliweinstein.bsky.social is hiring PhD students at @dtu.dk DTU Chemistry.

Full job link: efzu.fa.em2.oraclecloud.com/hcmUI/Candid...

Thanks for re-sharing widely!

Great discussion today at #NextGenChemLeaders by #KNCV led by Ioana Ilie (@biosim-lab.bsky.social) on building scientific partnerships that last! The focus: creating powerful, long-term consortia.

#ScientificCollaboration #ChemSky #Academia #Leadership #SciComm

Looking forward to seeing a lot of #AssistantProfessor in the Netherlands join for this event. If you're an @apnet.bsky.social member, this is a free #leadership course! Spread the word! #AcademicSky

Honored to be featured! Thank you.

Meet Ioana M. Ilie (@biosim-lab.bsky.social) #NewPrincipalInvestigator at University of Amsterdam. Learn about her current research interests and advice for those seeking to start their own group in our latest blog post: blogs.rsc.org/jm/2025/04/1...

Check out the front cover of issue 7 of @materialsadvances.rsc.org!
'Computational design of Bax-inhibiting peptides' by Ioana M. Ilie et al. @biosim-lab.bsky.social
doi.org/10.1039/D4MA...

Universitair hoofddocenten UT krijgen promotierecht Universitair hoofddocenten in vaste dienst mogen vanaf nu doctorstitels uitreiken aan promovendi. Dat maakte het College voor Promoties vandaag bekend. De verruiming in het beleid zorgt voor minder we...

Associate Professors (UHDs) and certain Assistant Professors (UDs) will get the promotion right at the University of Twente. Another step for #iedereenprofessor that strives for promotion right for all group leaders including UDs and UHDs at all Dutch universities. www.utoday.nl/news/75510/u...

Screencap from the homepage showing various structural similarity metrics between a pose and a reference structure

A single python package for calculation of quality metrics like DockQ, LDDT, RMSD, & others

peppr.vant.ai

🚨 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/BaxPep

Computational 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

Computational 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

🚨 Postdoc Opportunity #2 🚨

We are looking for candidates with a strong background in molecular dynamics simulations of membrane protein interactions to unravel the role of lipids in CD95 oligomerization and signaling!

Please apply by March 28!

#LipidTime @bzh-hd.bsky.social

Could you please add me?

Tuning and modeling nanoparticles with flexible cores Tunable and responsive coarse-grained models enable accurate simulations of flexible nanoparticles, especially significant in biomedical applications

Read about our MetaParticles in the recent #Scilight
pubs.aip.org/aip/sci/article/2025/4/041101/3332086

You can find my and Ioana's (@biosim-lab.bsky.social) full paper at pubs.aip.org/aip/jcp/article/161/24/244905/3328202

@justinlemkulvt.bsky.social something for you?

Tuning and modeling nanoparticles with flexible cores Tunable and responsive coarse-grained models enable accurate simulations of flexible nanoparticles, especially significant in biomedical applications

Check out the cool Metaparticles of @m-paesani.bsky.social highlighted in #Scilight
pubs.aip.org/aip/sci/arti...
Full paper: pubs.aip.org/aip/jcp/arti...
#chemsky #metaparticle #compchem #softmatter

The First paper of my PhD has been published on Journal of Chemical Physics featured on the cover of the issue, and selected for Scilight! 🤯

This research introduces MetaParticle — an adaptable, tunable model for nanoparticles.

pubs.aip.org/aip/jcp/arti...

#metaparticles

Peptides rock. Even more when they come from @olallalab.bsky.social