News
Mike and Ioana’s new paper out on Chemistry Europe
You can read more about their paper “Remote Residue Substitution and Macrocyclization Preorganize a β-Hairpin Peptide and Enhance β-Catenin Binding” here. Congrats, Mike and Ioana!
Niki wins Best Oral Presentation at ACS Fall meeting in Chicago
Niki’s talk, “Generative peptide design targeting Parkinson’s disease,” covered how generative models can help us design new peptides against one of the most challenging neurodegenerative
Eline’s Bayesian Umbrella Quadrature in the cover of JCTC and presented at GRC
Eline’s paper, Bayesian Umbrella Quadrature Automates Free-Energy Calculations Across Diverse Molecular Systems and Processes, has been featured in the cover of JCTC. She also recently
Ioana awarded first ever NextGenChem award
Ioana is the first recipient of the NextGenChem award of the Royal Netherlands Chemical Society (KNCV), recognizing her commitment to research, teaching and community building.
Alexander’s stoichiometry-based ML for discovery of salt hydrates published in Communications Materials
Alexander’s paper, Stoichiometry-based machine learning enables discovery of new salt hydration reactions for thermochemical heat storage, has been published in Communications Materials. Read more about
Stefano Polla appointed assistant professor in quantum computing for chemistry
Stefano Polla has been appointed Assistant Professor in Quantum Computing and Simulation for Quantum Chemistry and Materials. He will develop quantum computing algorithms for applications