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. 2021 Dec 25;141:105171. doi: 10.1016/j.compbiomed.2021.105171

Fig. 3.

Fig. 3

Root mean square deviation (RMSD) of the 3CLpro (pocket A) (A) 3CLpro (pocket B) and S protein (C) of SARS-CoV-2 in complex with BEA, during 100 ns of the molecular dynamic (MD) simulation period.