Identification of Potential WSB1 Inhibitors by AlphaFold Modeling, Virtual Screening, and Molecular Dynamics Simulation Studies

<div>Molecular dynamics simulation and interaction mechanism analysis of Y043-6168 with WSB1: (a) root mean square deviation (RMSD) of WSB1 backbone during MD simulation; (b) the 3D plot of the complex; (c) protein-ligand interaction; (d) the 2D plot of the complex.</div>

Evidence-Based Complementary and Alternative Medicine

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Figure 6

Figure 6: Identification of Potential WSB1 Inhibitors by AlphaFold Modeling, Virtual Screening, and Molecular Dynamics Simulation Studies 