Van 't Hoff Institute for Molecular Sciences University of Amsterdam
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 […]
Read moreDuring the fully sold-out ChemAI event, which was co-organized by Bernd Ensing, Computational Chemistry had the chance to share its work with the academic and industrial communities. The work of our PhDs and Postdocs was showcased during the poster session. While everyone received a lot of well-deserved attention, two group members stood out: Jacobus received […]
Read moreUnder the supervision of Prof. Carme Rovira, Oriol Esquivias Bautista de Lisbona, a former visitor in the group of Bernd Ensing, has obtained his PhD from the University of Barcelona with the higher possible note, i.e., “excellent”. During his stay in our group, Oriol worked on combining quantum mechanics/molecular mechanics modelling with path-metadynamics to elucidate […]
Read moreDr Alberto Pérez de Alba Ortíz has been appointed as assistant professor in Computational Soft Matter, affiliated both to the van ‘t Hoff Institute for Molecular Sciences and the Informatics Institute. Using machine learning- and free energy-based strategies, he aims to design novel living-like materials with tunable and responsive properties. Such materials promise solutions for […]
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