Figure 4 | Scientific Reports

Figure 4

From: Discovering new mTOR inhibitors for cancer treatment through virtual screening methods and in vitro assays

Figure 4

Ligand−residue interaction energies from MM/GBSA energy decomposition for 13

(a), 17 (c) and 40 (e) and two-dimensional ligand-residue interaction maps of 13 (b), 17 (d) and 40 (f). Delta Gsubtotal represents total estimated binding free energy for each residue. Delta Gele represents non-bonded electrostatics interactions. Delta Gvdw represents non-bonded van der Waals interactions.

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