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10.1152/jn.00894.2003 J

This approach involved an extensive in silico protocol (illustrated in Figures 2A, B, Supplementary Figures S1S6), that included database management, ligand clustering, RMSD calculations, induced-fit docking, molecular dynamics simulations, TRAPP physicochemical analyses ( FIGURE 2 We identified nine distinct inhibitor families, each associated with a predictive machine learning model, a ligand-based pharmacophore model, and an ensemble pharmacophore model derived from ligand-receptor complexes

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Nutrients 10(9):1135

All blots were developed using a LI-COR Odyssey CLx system