The University of New Mexico (UNM) has been awarded a $300,000 Project Grant from the National Science Foundation (NSF) Integrative Activities (IA) program, effective February 1, 2025 through January 31, 2027. The grant supports the development and experimental validation of computational tools for the simulation-guided design of DNA nanostructures and molecular systems. This research aims to enable practical applications of molecular information processing, such as biomedical diagnostics within living cells. Key objectives include the integration of high-level and low-level computational models to harness the predictive power of molecular dynamics while improving simulation efficiency, as well as the parameterization of coarse-grained molecular dynamics models to simulate "heterochiral" DNA constructs designed to resist cellular degradation. The results of this project will advance the state of the art in computational biodesign, simplifying the design tasks for future DNA nanotechnology researchers. This NSF IA grant leverages UNM's expertise in areas like physics, engineering, and biomedicine to support the agency's mission of enhancing research capabilities and fostering interdisciplinary collaboration.
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