Federal Grant Award Summary

The National Institute of General Medical Sciences (NIGMS) awarded a $399,391 Project Grant to the Regents of the University of California at Riverside on May 1, 2026, under the Biomedical Research and Research Training program (CFDA 93.859). The project, titled "Molecular Modeling and Theoretical Characterization of Protein Dynamics and Ligand Binding," focuses on developing and applying advanced molecular dynamics (MD) simulation techniques to enhance understanding of protein-ligand interactions at the atomic level. The research addresses critical gaps in computational modeling of binding affinity, binding kinetics (association and dissociation rates), and the effects of protein conformational changes on drug efficacy—particularly in complex cellular environments where proteins interact with multiple binding partners.

The project deliverables include the continued development of modeling tools and methodologies to predict drug binding properties and facilitate rational drug design, with specific emphasis on understanding protein dynamics in protein complexes and designing small-molecule "molecular glues" for targeted protein degradation or functional inhibition. The research will be conducted at UC Riverside through February 28, 2031, and is anticipated to bridge knowledge gaps between in vitro binding studies and in vivo drug efficacy, ultimately supporting more effective therapeutic development across pharmaceutical and biomedical applications.