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...

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 [email protected] to learn more! #Academia #Leadership

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...

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!

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

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...

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...

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

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

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

Obituary for computational chemistry pioneer Martin Karplus in the New York Times (gift link). #CompChem #ChemSky 🧪 www.nytimes.com/2025/01/13/s...

To 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.social

Martin Karplus died on Saturday, Dec 28 at age 94. Martin was my freshman Chem 10 professor, my undergraduate research advisor, and my PhD advisor. I will always be grateful for his true kindness to me as a mentor through some difficult times in my life. cen.acs.org/people/obitu...

José, Balázs, and Gerhard tested this idea and developed a "fast water" model that accelerates sampling by a factor of two at minimal cost in accuracy. This can save a lot of time and energy. pubs.acs.org/doi/full/10....

@apnet.bsky.social wishes all of you a happy and successful 2025. Let's make it an amazing year together!

Wrapping up the year with MetaParticles on and off the cover of @JChemPhys pubs.aip.org/aip/jcp/arti... #chemsky #metaparticles

SILCS-Water allows for inclusion of explicit waters during ligand docking offering improved binding affinities and poses for select systems in a computationally efficient approach. SilcsBio is hosting seminar on January 7, 2025. Please join us! events.teams.microsoft.com/event/713bec...

Seems like we’ve been nice. Santa brought us MetaParticles right on Christmas Eve! #compchem pubs.aip.org/aip/jcp/arti...

APNet 2023-2024 Highlights: New Leadership: Restructured board with @biosim-lab.bsky.social, @anouk-geologist.bsky.social, @stephanhacker2.bsky.social, @msmathcomp.bsky.social, Luisa Cortesi, @verenaseibel.bsky.social, Tessa Sinnige and Apostolos Liakopoulos. (2/7)

Here are 35 Taylor series for Taylor Swift's 35th birthday 😸 [stolen from the other platform] #scisky #mathsky #chemsky

Does anyone have recommendations for a good scientific illustrator? #compchem

Congratulations! Well deserved, Liesbeth!

Opportunity in chemical biology & #proteomics at Pfizer (Groton CT USA) ref: 4924293 | closing: 06-Dec-2024 #ChemBiol #biochem #chemsky 🧪 pfizer.wd1.myworkdayjobs.com/PfizerCareer...

Love it every time!

Yesterday, >20,000 students, researchers and staff protested against the devastating cuts to higher education and research in the Netherlands: No innovation without education. No progress without knowledge! To the House of Representatives and the government: DOE.HET.NIET! 🟥

I’ve started a starter pack on peptide design. Please suggest more colleagues to be added or let me know if you want to be added. Peptides rock! go.bsky.app/QL4rSPE

great talk today here at @ethzurich.bsky.social by @biosim-lab.bsky.social about her work on alpha-synuclein aggregation modeling and cyclic peptide design for apoptosis inhibition. Always great to see fellow Romanian expats doing great science!

Great to see the community of Assistant Professors in the Netherlands growing. Check out the Starter Pack, if you want to connect, and reply to the below post, if you want to be added to the list.

Computational design of Bax-inhibiting peptides https://www.biorxiv.org/content/10.1101/2024.10.28.617283v1

I’ve started a starter pack on peptide design. Please suggest more colleagues to be added or let me know if you want to be added. Peptides rock! go.bsky.app/QL4rSPE

If you are an Assistant Professor (or equivalent) in the Netherlands, check out @apnet.bsky.social and help us to build a strong network of Assistant professors by following our bluesky account and ideally becoming a member: ap-net.nl/register/

We made a (far from complete) Starter Pack of Assistant Professors in the Netherlands across all scientific disciplines: go.bsky.app/AYBAKDp If you want to be added (or removed), please reply to this post. And while you are at it, consider joining APNet: ap-net.nl/register/

Back at the Synapsid Forum! Looking forward to the exciting research! #dementia #amyloids

Join us in building a strong Network of Assistant Professors in the Netherlands! If you are an Assistant Professor or equivalent in the Netherlands, we invite you to join APNet, a vibrant community created by and for Assistant Professors across the Netherlands. ap-net.nl/register/