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Fig. 5 | Journal of Biological Engineering

Fig. 5

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. 5

Principal component analysis. (A) Eigenvalues derived from the final 100 ns of each simulation and used for PCA depicted eigenvalues vs. the first fifty eigenvectors. (B) First two eigenvectors depicted the PEDV 3CL protease motion in space for all the systems. Black, red, green, blue, yellow, and maroon colors represent PEDV 3CL protease, ZINC38167083, ZINC09517223, ZINC03960761, ZINC04339983, and ZINC09517238, respectively

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Journal of Biological Engineering

ISSN: 1754-1611