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uses long timescale molecular dynamics (MD) simulations, integrated with experimental observables (especially cryo-electron microscopy data), and machine learning tools to better capture the dynamics
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historically challenging biological processes by developing theory, innovative modeling tools for large-scale biophysical simulations, and computational frameworks for analyzing increasingly large and complex
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of interest include (but not limited to) molecular mechanisms and nonequilibrium thermodynamics in living systems responsible for important regulatory functions such as signal transduction, molecular motor
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