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pHere we demonstrate by a proof-of-concept simulation of IR spectra of complex of spike protein of SARS-CoV-2 and human ACE2, that a time-resolved spectroscopy may monitor the real-time structural information of the protein-protein complexes of interest, with the helof a machine learning protocol The significant speeduof our approach relative to conventional quantum chemistry approach suggests a promising way of accelerating the development of real-time spectroscopy study of protein dynamics //div
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AI-based Spectroscopic Monitoring of Real-time Interactions between SARS-CoV-2 and Human ACE2
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