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Molecular Docking and Dynamics (MD) Simulation of 6-gingerol and 6-shogaol Against Human Estrogen Receptor Alpha (ERɑ)

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Figure

Fig. 1: Structural formula obtained from PubChem and the 3D structure of ligands molecule as viewed
Fig. 2: Visualization of ERɑ structure and the  server and reviewed using PyMOL (blue, green & active site residues, red = incorporated residues in red = ERɑ, green & red = CASTp predetermined key active site residues as obtained from CASTp AutoDock grid m
Table 2:List of GROMACS programs used in result collection and analysis.
Fig. 4:Molecular representation exhibits the formation of h-bond (yellow dash line) with
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