Federal Project Grant Award Summary

The National Institute of General Medical Sciences (NIGMS) awarded $405,390 to the University of Maryland, College Park under the Biomedical Research and Research Training program (CFDA 93.859) on April 1, 2026, with a completion date of January 31, 2031. This project grant supports the development of improved force field (FF) parameters for molecular simulations of cellular membranes and associated proteins. The research focuses on enhancing the accuracy of lipid force fields across diverse lipid types, incorporating long-range dispersion interactions and polarization effects, and improving force field parameters for peptide-lipid interactions. The project will integrate empirical wet laboratory data from lipid monolayer experiments and isothermal titration calorimetry to validate and refine computational models. All improved force field parameters will be made available as open-source resources for the broader research community.

Additionally, the grant supports the development of comprehensive cell membrane models across various biological systems, from single-celled organisms to human cell organelles, with particular emphasis on creating detailed yeast organelle models. These models will be applied to simulate intracellular lipid transport processes involving membrane contact sites (MCSs)—protein structures that facilitate communication between cellular compartments. By advancing the accuracy of membrane and protein modeling through improved force fields, this research will enhance the predictive capability of molecular simulations for understanding fundamental biological processes relevant to drug transport, cellular trafficking, and immune system function.