Yinglong Miao

Biomolecular modeling, cellular signaling, and computer-aided drug design

Our research is focused on the development of novel theoretical and computational methods that accelerate modern computer simulations by orders of magnitude and the application of these methods in advanced biomolecular and cellular modeling and computer-aided drug design. In collaboration with leading experimental groups, we combine complementary simulations and experiments on in-depth studies and drug discovery of functionally important biomolecules and cellular signaling pathways.

At the interface of computational biology, chemistry and pharmacology, our research addresses three major topics: (i) Computer-aided drug design of G-protein-coupled receptors (GPCRs) and other important targets, (ii) method development for enhanced simulations of biomolecular diffusion and recognition in crowded cellular environments, and (iii) multiscale modeling of cellular signaling pathways that are relevant to neurological disorders, heart failure and cancer.