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Fig. 5 | BMC Chemistry

Fig. 5

From: Drug repurposing of pyrazolotriazine derivatives as potential anti-SARS-CoV-2 agents: in vitro and in silico studies

Fig. 5

Molecular Dynamics results for compounds 1 and 5 in the active site of SARS-CoV-2 methyl transferase. a RMSD of protein chain relative to first frame of production run. b RMSD of protein chain relative to starting crystal structure. c Radius of gyration of protein. d average RMSF of protein amino acids during the production run. e number of hydrogen bonds between ligands and protein. f RMSD of ligand heavy atoms during production run

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BMC Chemistry

ISSN: 2661-801X

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