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. 2020 Jun 11:1–12. doi: 10.1080/07391102.2020.1776157

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Figure 5. — Plot of solvent accessible surface (SASA) region and hydrogen bond formation during 30 ns MD simulation. (A) Plot of solvent accessible surface area (SASA) during 30 ns molecular dynamics simulation of SARS-CoV2 M^pro protein and in complex with Curcuma longa compounds C1, C2 and standard protease inhibitor lopinavir. (B) Plot of number of hydrogen bond formation with in the SARS-CoV2 M^pro protein, SARS-CoV2 Mpro protein complex with compound C1, C2 and lopinavir. (C) Plot of number of hydrogen bond formation between water and SARS-CoV2 M^pro protein, SARS-CoV2 M^pro protein complex with compound C1, C2 and lopinavir. (D) Plot of number of hydrogen bond formation between SARS-CoV2 M^pro protein and compound C1, C2 and lopinavir. Unbound protein parameters are depicted in black color. Protein-ligand complex C1 and C2 parameters are shown in green and blue color. Protein-lopinavir complex is shown in red color.