July 23, 2020

Four U-M projects aim to advance computational discovery

"Leveraging Generative Artificial Intelligence for the De Novo Design of Biomolecular Probes" was one of the four funded projects lead by Aaron Frank (CCMB Affiliate).

Leveraging Generative Artificial Intelligence for the De Novo Design of Biomolecular Probes

Aaron Frank, assistant professor of biophysics and of chemistry, LSA, and his group will spearhead efficient strategies to rapidly develop treatments for emerging diseases — a need made more compelling by the COVID-19 pandemic.

Their approach combines generative artificial intelligence models and molecular docking to rapidly explore the space of chemical structures and generate target-specific virtual libraries for drug discovery.