This $396,000 federal Project Grant award from the National Science Foundation (NSF) Division of Chemistry under the Mathematical and Physical Sciences (CFDA 47.049) program supports Professor George L. Barnes of Illinois State University in investigating the reaction dynamics of collision-induced dissociation (CID) of post-translationally modified peptides and nucleosides using advanced computational simulation techniques. The project aims to elucidate the mechanisms underlying CID processes, develop modernized CID simulation software with artificial intelligence-based potential energy surfaces, and provide training opportunities for high school, undergraduate, and graduate students in computational chemistry and high-performance computing. The research findings and software package are expected to benefit the broader scientific community studying CID-related mass spectrometry data analysis. No sub-awards are planned under this grant, which has an award period from March 2025 to February 2028.
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