News · Computational Chemistry

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 diseases. You can read more about Niki’s work together with Ioana and Lars van der Heide (SILS) here. Congratulations, Niki!

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 presented her work at the Gordon Research Conference on Computational Chemistry in Barcelona. Read more about her work here. Congrats, Eline!

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. The award will be presented to during the Young PI meeting at CHAINS in December. Read more here. Congratulations, Ioana! Photo credit: APnet