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Energies and temperatures versus simulation time for (a) total, (b) non-bonded, and (c) potential energies. The plots show the temperatures for (d) CTD-ACE2+caffeine (6LZG+C), (e) RBD-ACE2+hydroxychloroquine+caffeine (6VW1+HC), and (f) CTD-ACE2+favipiravir+nicotine (6LZG+FN).
