Our mission is to foster innovation, implementation, and adoption of artificial intelligence systems and machine learning technologies to advance the frontier of biomolecular dynamics, decipher the mechanisms of diseases, and improve human health. The center will develop integrated computational/experimental tools to characterize and design the functional dynamics of proteins and leverage this knowledge to advance the discovery of small molecule drug candidates with enhanced precision for distinct conformational states. 

 

CENTER OBJECTIVES 

 

• Build AI to model and design protein dynamics. 

• Develop integrated computational and experimental methods to decipher the role of dynamics in protein function. 

• Interface to genomics groups to apply AI methods to identify protein-coding mutations that impact protein function in cancer and neuropsychiatric disorders. 

• Apply integrated computational and experimental methods to highlight the role of dynamics in the phenotypic expression of disease-linked mutations. 

• Address long-standing challenges in computer-aided drug design by strategically combining physics-based methods with AI.