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Prediction of Ciclesonide Binding Site on Middle-East Respiratory Syndrome Coronavirus Nsp15 Multimer by Molecular Dynamics Simulations
[post]
2021
unpublished
Preserved Fulltext
Ciclesonide, a corticosteroid, was known to inhibit the growth of Middle-east respiratory syndrome (MERS) coronavirus. However, its molecular mechanism was unknown. We tried to uncover the molecular mechanism from the molecular dynamics simulation.<div>SARS_CoV_2_nsp15.pdf: The preprint document.</div><div>nsp15-mers-supp.zip: Supplemental data including binding poses and parameter files for the simulation.</div>
doi:10.26434/chemrxiv.13602731
fatcat:6zugzv46lraijpdeg6toczqdma