Federal Project Grant Award Summary

The University of North Carolina at Chapel Hill received a $470,963 Project Grant from the National Institute of General Medical Sciences (NIGMS) under the Biomedical Research and Research Training program (CFDA 93.859) for the period May 1, 2026 through April 30, 2031. The award supports research titled "Enhanced Sampling of Intracellular Protein Interactions with G-Protein-Coupled Receptors," which will deliver computational modeling and molecular dynamics simulation capabilities to characterize the lifetime and dissociation kinetics of G-protein-coupled receptor (GPCR) complexes with heterotrimeric G proteins and β-arrestins. This research addresses a critical gap in drug development by providing quantitative predictions of protein interaction dynamics that currently require expensive and time-consuming experimental methods.

The project will advance drug design for GPCRs—the largest superfamily of human membrane proteins and targets of approximately one-third of currently marketed pharmaceuticals—by developing enhanced sampling methodologies based on the protein-protein interaction Gaussian accelerated molecular dynamics (PPI-GAMD) approach. The research outcomes will facilitate the design of allosteric modulators and biased agonists with improved selectivity and reduced off-target side effects compared to traditional agonists, thereby supporting the development of more effective and safer therapeutic interventions. The research will be conducted at UNC-Chapel Hill's Chapel Hill, North Carolina location.