Computational Chemist @Evotec šŸ‡¬šŸ‡§ Former PhD student @UniPadova šŸ‡®šŸ‡¹

Oxford, England
Nice overview of our recent research at @Evotec showing how we can encode oligonucleotide sequences as chemical entities (not just as strings) enabling the training of ML models also for chemically-modified ones. Check out the preprint šŸ§¬šŸ’» doi.org/10.26434/chemrxiv-20…
Encode oligos as chemistry, not just strings. HELM→SMILES→MAP4 seems to match sequence-only approaches to predict siRNA efficacy. But, it generalizes to chemically modified oligonucleotides, where sequence-only baselines don’t work.
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Presented at #ASCO26: Among patients with previously treated metastatic pancreatic ductal adenocarcinoma, the RAS(ON) inhibitor daraxonrasib led to significantly longer overall survival and progression-free survival than chemotherapy. Full phase 3 RASolute 302 trial results: nej.md/4nWaxvM @ASCO
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Huge congratulations to Anna Herz and @julienmich80 on the newly published RBFE calculations paper! A remarkable accomplishment and a proud moment for our collaboration
Modular and Interoperable Workflows for Benchmarking Alchemical Binding Free Energy Calculation Methodologies pubs.acs.org/doi/10.1021/acs… @_Maicol_ @julienmich80 @EdinburghChem #JCIM Vol65 Issue19 #PharmaceuticalModeling
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HURKACZ SI ƈ IMPOSSESSATO DEL TUO CORPO PER CASO?!?!?!
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THIS. IS. TENNIS. šŸ”„ @janniksin @carlosalcaraz šŸ”„ #TennisParadise
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New post at Practical Cheminformatics, ā€œSome Thoughts on Biotech vs Pharma for Computational Chemistsā€. practicalcheminformatics.blo…
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How has @janniksin turned that into a winner 🤯 #DavisCupFinals | @federtennis
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Wow! From @Dereklowe: ā€œThis is by far the most believable shot at room-temperature-and-pressure superconductivity the world has seen so far, and the coming days and weeks are going to be extremely damned interesting.ā€ science.org/content/blog-pos…
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Great view from here for the first talk of #MDinPharma by Christoffer Lind giving us insights on combining FEP with QM interaction energies.
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Almost three years after my PhD viva and I finally got my diploma. #PhDone #UNIPD #PhD
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We’re very happy to announce that our RFdiffusion manuscript is now on bioRxiv! A lot can change in a week - we’ve now tested over a thousand designs and there’s so much exciting new data! 🧵
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Excited to share our preprint on using unsupervised learning to find inhibitors from fragments hits. The idea is learning a distance distribution of pharmacophores from fragment hits, and then scoring a large purchasable library using that. (1/3) biorxiv.org/content/10.1101/…
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Thrilled to be at the @RSC_CICAG ā€œAI in Chemistryā€ conference - lots of interesting talks, come along to hear about my work onā€unsupervised learning of fragment-protein complexesā€! #AIChem22
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Yesterday during a hike I came across the Dragon of Vaia, one of the largest wooden sculptures in Europe. This dragon represents the rebirth of the Italian woods, hit by the terrible Vaia storm of October 2018. #dragon #vaia #lavarone #alpes
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