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. Author manuscript; available in PMC: 2012 Apr 15.
Published in final edited form as: Bioorg Med Chem. 2011 Mar 12;19(8):2557–2564. doi: 10.1016/j.bmc.2011.03.019

Table 2.

Number of atoms and radius of gyration of the PAMAM dendrimers estimated from 1-ns MD simulations at pH 7

PAMAM Dendrimers Number of Atoms Radius of Gyration (Å)
G3-NH2 1 1124 18.8 ± 0.2
19.7 ± 0.1a
G3-OH 3 1924 13.1 ± 0.1
G3-MTX 4 with four MTX 2128 14.0 ± 0.2
a

A previously published value in implicit solvent with consistent valence force field.32,37