Massimiliano’s paper on the cover of JCP


Massimiliano Paesani’s first paper with Dr Ioana Ilie has been published in the Journal of Chemical Physics, featured on the cover of the issue, and selected for Scilight. Their research introduces MetaParticle — an adaptable, tunable model for nanoparticles. By exploring different sizes and topologies, they demonstrated a highly flexible system that opens up exciting […]

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MMD grants for Ioana and Bernd


Two grants from the new technology hub for Material and Molecular Design (MMD) have been awarded to CompChem members! Congratulations, Ioana and Bernd! These are the awarded projects: Digital development of drug nanocarriers for Alzheimer’s diseaseDr Ioana Ilie (HIMS), in cooperation with Prof Joost Reek (HIMS) and Dr Carlos Fitzsimons (Swammerdam Institute for Life Sciences)The […]

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PNAS paper by Ioana


Together with HIMS Vibrational Spectroscopy, Ioana has published a paper about how water guides the assembly of collagen, the building block of all humans. Check out the highlight by HIMS and the article. Congrats, Ioana!

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Ioana’s article and interview in ChemComm


Daria and Ioana have published a Highlight in ChemComm titled Unlocking novel therapies: cyclic peptide design for amyloidogenic targets through synergies of experiments, simulations, and machine learning. From a computational perspecrive, they review the latest advancements in cyclic peptide design against amyloidogenic targets in light of recent advancements and potential of machine learning. They discuss […]

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