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Martini model of an entire cell !!

I am very excited to present our work about the computational characterization of the binding mode and mechanism of action of TeCAs compounds at 5-HT1e and 5-HT1f receptors at the poster session tomorrow, February 22nd. [Pos:B2477, 10:30 AM] Marta Filizola Filizolalab #bps23

If you are still at #BPS2023 and looking for new cryo-EM structures of the 5-HT1E receptor interrogated with MD simulations, make sure to stop by Bianca Fiorillo 's poster. A fun collaboration with Daniel Wacker and talented Grad School at Icahn Mount Sinai student Greg Zilberg

The authors explored a long-time-step MD protocol to decrease the computational cost of simulating the kinetic process of protein-ligand recognition and suggested an assessment of its pitfalls before using it for higher performance in such kinetic events. ow.ly/eyVH50NclM6

Thank you for the flowers and your support, ⁦Carlos, Bianca, Rikhia, and Leslie. You are the best lab mates one can wish of! BarretoCarlosAV⁩ , ⁦Bianca Fiorillo⁩ , ⁦Rikhia Ghosh⁩ , ⁦🌱⁩

It was a real pleasure to celebrate our PI Marta Filizola together at the 2023 Jacobi Awards ceremony. Again many congratulations.

un'animazione per ascoltare e vedere la quinta sinfonia di beethoven

Glad for the opportunity to present my work at my first #NYSBDG summer session. It was an amazing experience. Many congratulations to the organizers. NYSBDG

MacMaje Gianni De Fabritiis Frank Noe Cecilia Clementi Acellera Therapeutics construct coarse-grained molecular potentials using artificial neural networks, accelerating protein dynamics simulations while preserving their thermodynamics. #BiotechNatureComms nature.com/articles/s4146…

Filizolalab members Davide Provasi 🇮🇱🎗️ and Bianca Fiorillo meet talented Grad School at Icahn Mount Sinai students Greg Zilberg Greg Zilberg and Audrey Warren, as well as associate researcher Alexandra Parpounas, in the Daniel Wacker

A new Research Scientist/Postdoctoral Associate in Computational Chemistry/Biophysics avaliable in the Filizolalab immediately. Please RT and/or DM ccl.net/cca/jobs/jobli…

Great news! 🚨Innovative education of medicinal chemistry with Meta at Department of Pharmacy Unina. 👩🏼‍🔬🧪💻 Thank you Prof. @paologrieco for this exciting initiative. federica moraca

Congratulations on the latest work from the Daniel Wacker! Spearheaded by 3 Icahn School of Medicine at Mount Sinai students, Greg Zilberg, ally p & Audrey Warren w/Bianca Fiorillo Davide Provasi 🇮🇱🎗️ & Marta Filizola CHECK it out Science Advances 👉science.org/doi/10.1126/sc…

📌Consegna dei diplomi e cerimonia per la chiusura della prima edizione della PharmaTech Academy 📢 È gia online il bando per l’anno accademico 2024-25 al sito web unina.it/ateneo/pharmat… Unina Federico II

Opening cerimony at the IUFoST2024Italy in #Rimini 📍 What a great idea to combine Science with Music. 👩🏼‍🔬🎶

I am very excited to present my work about the molecular basis of anti-inflammatory potential of bioactive compounds in fermented-chickpea purees at the poster session today, September 10th. [Pos:163] #IUFOST2024 OnFoods

Honored to have presented my poster at #IUFOST2024 in Rimini!🙏🏼 Grateful for the opportunity to share knowledge, connect with experts worldwide, and expand my network. Excited for future collaborations! Thank you to OnFoods and to all the organizing committee. #FoodScience

Excited to share my work on multi-targeting in drug discovery at #EuroQSAR! If you're interested in how to address multiple targets with one drug, check out my poster (Sept 23-24). Looking forward to connecting and exchanging ideas! [Pos:071] #DrugDiscovery #MultiTargeting

Thank you to the organizers of “Winter Modeling 2025” for the invitation as a speaker! A great opportunity to share ideas and discuss #computationalchemistry, #modeling, #AI, and #datascience in an inspiring setting.

Please RT! I have 2 postdoctoral positions in my lab Biomedical Research Foundation Academy of Athens to work on MD sims for protein allostery, cryptic pocket identification, CADD/FEP. Knowledge in coarse-grained MD is a plus. More info: linkedin.com/hiring/jobs/42…. Send me an email with your CV if interested!