In this sense, it is shown that the free protein 1R4L without a ligand shows a positive trend with maximum values of 3.6 Å at 87.8 ns, indicating the destabilization of the protein owing to the absence of the ligand, something that was already anticipated from the control experiment (see Figure 9 a).
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A New <i>In Silico</i> Comparison of the Relative Affinity of Enantiomeric Chloroquine (CQ) and Hydroxychloroquine (HCQ) for ACE2.
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