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[DOI] [PubMed] [Google Scholar] 100.Menichelli D., Carnevale R., Nocella C., Cammisotto V., Castellani V., Bartimoccia S., Frati G., Pignatelli P., Pastori D

10.1038/nrgastro.2012.85 22 ChangT

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In particular, breakthroughs in supercomputers (such as the Anton computer designed for MD simulation) and graphics processing units (GPUs) have significantly enhanced the scale and efficiency of simulations, making MD simulation increasingly important in biophysics, drug design, and materials science (Schmid et al., 2010