An open-source algorithm for smarter drug design

Drug development, like romance, is all about chemistry. When a molecule meets a target, they must have a sufficiently strong connection to avoid side effects and failure. Dr. David Minh developed open-source software that more quickly and accurately predicts just how strong that energy is likely to be. View Halo Profile >>

Tell me about your research…

I work on computational methods for drug discovery. Specifically, I am developing techniques to predict the noncovalent binding free energy between a small organic molecule and protein. In a key collaborative effort, I also apply molecular modeling methods to understand the mechanisms of metabolic enzymes in pathogenic bacteria.

Can you explain that to a non-scientist?

I write computer programs that use the principles of physics to help design drugs.

How could it someday impact patient lives?

Improving computational tools for drug design can reduce the costs of pharmaceutical research and development and lead to drugs that are more safe and effective.