It was under Professor Panagiotopoulos’ gracious tutelage over two decades ago at Princeton University that I first gained an appreciation for the elegant simulation techniques pioneered by his research group. These sophisticated techniques afforded deep insights and mechanistic understanding of complex fluids and materials in ways that were not easily accessible through empirical experimentation alone.
That experience was foundational and has since enabled me to complement experimental research with modeling and simulations through various collaborations across industry and academia throughout my career. In this talk, I will share examples of our research that combines molecular dynamics simulations with NMR spectroscopy to elucidate the behavior of peptide-lipid membranes relevant to the characterization of novel peptide therapeutics and nucleic acid delivery systems such as lipid nanoparticles.
