The AI Small Molecule Drug Discovery Center will focus on three core areas: designing novel drug-like molecules using generative AI, optimizing existing compounds to enhance their efficacy and safety, ...

Approaches for computer-aided drug design typically focus either on structure-based biophysics, which physically simulate how a molecule interacts with a specific protein at a given binding site ...

Approaches for computer-aided drug design typically focus either on structure-based biophysics, which physically simulate how a molecule interacts with a specific protein at a given binding site ...

In the current study, the researchers used what is known as fragment-based drug design instead. The method involves first ...