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Fig. 2 | Journal of Biological Engineering

Fig. 2

From: Targeting the PEDV 3CL protease for identification of small molecule inhibitors: an insight from virtual screening, ADMET prediction, molecular dynamics, free energy landscape, and binding energy calculations

Fig. 2

2D representation of the binding interactions of the top five screened natural compounds with PEDV 3CL protease depicted key amino acid residues that contributed to protein-ligand interactions. (A) ZINC38167083, (B) ZINC09517223, (C) ZINC03960761, (D) ZINC04339983, (E) ZINC09517238

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Journal of Biological Engineering

ISSN: 1754-1611