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ocess of PDI dyes and the vibronic spectra of large-size aggregates, the use of a molecule-specific QMD-FF also appears mandatory, considering the significant errors found in the GAFF trajectory in the flexible lateral chain populations, which dictate the supramolecular aggregation properties.MicroRNA (miRNA) has become a key indicator of cancer diagnosis based on its abnormal expression levels. However, high-performance monitoring of miRNA is still a difficult task because of its low concentration, small size, and similarity of sequences