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. 2020 Jul 1;9:663. [Version 1] doi: 10.12688/f1000research.24143.1

Figure 11. The root mean square fluctuation (RMSF) plot for protein ligand complexes generated after 100 ns molecular dynamics simulation in the NPT ensemble.

Figure 11.

A) streptomycin/SARS-CoV-2-S complex; B) ciprofloxacin SARS-CoV-2-S complex; C) glycyrrhizic acid/SARS-CoV-2-S complex. Desmond version 4.2 42. This analysis could also have been performed using open source software such as GROMACS 43.