Figure 5 | Scientific Reports

Figure 5

From: Targeting and ultrabroad insight into molecular basis of Resistance-nodulation-cell division efflux pumps

Figure 5

FMO PIEDAs calculation after docking with NPC 226,108. Left hand; profile interaction in PyMOL. Middle bar; ΔEtot (kcal/mol) for every residue. The right-hand bar graph depicts the PIEs and PIEDAs of the crucial OMP residues with NPC226108. Green, red, dark blue, yellow, and light blue colors are reflected in the electrostatic, exchange repulsion, charge transfer, Ect + mix, and E total terms, respectively.

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