Jana Shen is a professor and co-director of the Computer-Aided Drug Design Center at the University of Maryland School of Pharmacy. The Shen lab develops and applies simulation and data science tools to advance the understanding of biology and to help accelerate drug as well as material design. Current research topics include the development of molecular dynamics and machine learning tools for covalent drug design; structure-function studies of coronavirus proteases, membrane channels, transporters and receptors; development of molecular dynamics and machine learning tools for understanding and predicting opioid properties; development of constant pH molecular dynamics methods. Synergistic activities include chair of the American Chemical Society Computers in Chemistry Division, founder and advisor of ComputChem LLC, and scientific advisory board member of MatchPoint Therapeutics.