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. Author manuscript; available in PMC: 2013 Feb 14.
Published in final edited form as: J Phys Chem B. 2008 Jul 12;112(31):9346–9353. doi: 10.1021/jp8013783

Figure 7.

Figure 7

Dendrimer deformation quantified as the macromolecular self-energy. The self-energy of G3 PAMAM dendrimers is equal to the energy of the bonding, electrostatic, and van der Waals terms of the CHARMM force field between atoms in the dendrimer; this is a quantitative description of the dendrimer deformation upon binding. The dendrimers are in a higher energy, more deformed state when bound to the lipids, and more so for the fluid vs gel phase lipids. G3–NH3+ begins in a more energetic state and deforms less to mediate binding as compared to G3–Ac or G3–COO−.