Table 2.

Non exhaustive list of PAMAM dendrimer simulations and their radius of gyration. For comparison the experimental values obtained by SAXS and SANS are displayed on top.

FF	Solvent	G0	G1	G2	G3	G4	G5	G6	G7	G8	G9	G10	Source
SAXS	Methanol				15.8	17.1	24.1	26.3	31.9	40.3	49.2	57.4	[86]
SAXS	Methanol	4.0	7.9	11.8	15.09	18.60	23.07	27.50	32.11	38.58	-	-	[116]
SANS	D2O	-	-	-	-	20.90–21.30	-	-	-	-	-	-	[117]
SANS	D2O pH 4.97–10.25	-	-	-	-	20.64–21.58	-	-	-	-	-	-	[111]
SANS	D2O pH 4.7–10.1	-	-	-	-	-	-	-	-	38.1–40.7	-	-	[112]
SANS	Different solvents	-	-	-	-	-	22.1	-	-	32.8–43.8	-	-	[118]
DREIDING	Vacuum	4.93	7.46	9.17	11.23	14.50	18.34	22.40	29.09	36.42	46.03	55.19	[10]
DREIDING optimized QM	Water explicit	-	-	-	-	21.07–22.11	-	-	-	-	-	-	[85]
DREIDING	Water implicit	4.97	7.03	9.77	13.01	16.36	21.67	27.62	-	-	-	-	[35]
DREIDING	Water explicit High pH	-	7.4	11.5	12.9	16.9	20.3	24.7	30.1	-	-	-	[119]
DREIDING	Water explicit Low pH	-	9.4	13.6	17.2	21.1	26.1	32.5	37.57	-	-	-	[119]
CHARMM 27	Water explicit	-	-	-	15.33	21.04	25.50	30.18	-	-	-	-	[95]
AMBER	Water explicit pH 7.4	-	-	-	16.25	18.8–20	22.43–22.9	27.2	-	-	-	-	[50]
AMBER	Water explicit pH 5	-	-	-	-	21.0	24.2	28.9	-	-	-	-	[50]
DREIDING	Water explicit pH 4–12	-	-	-	-	-		-	-	37.8–43.11	-	-	[120]
Coarse-Grained (MARTINI)	Water explicit	-	-	-	-	20.1	25.6	-	-	-	-	-	[59]
Coarse-Grained	Water explicit	-	-	-	13.1	-	23.20	-	-	-	-	-	[60]
DREIDING	Water explicit pH 12	-	-	-	-	16.78	20.67	26.76	-	-	-	-	[110]
DREIDING	Water explicit pH 7	-	-	-	-	17.01	22.19	27.28	-	-	-	-	[110]
DREIDING	Water explicit pH 4	-	-	-	-	19.01	24.76	30.89	-	-	-	-	[110]
CVFF	Water implicit Low pH	-	-	16.6	22.8	29.9	38.0	46.8	-	-	-	-	[87]
CVFF	Water implicit Neutral pH	-	-	14.5	19.7	26.7	32.8	41.3	-	-	-	-	[87]
CVFF	Water implicit High pH	-	-	8.4	11.6	14.8	18.3	24.2	-	-	-	-	[87]
OPLS	Vacuum	-	-	11.0	13.7	-	-	-	-	-	-	-	[121]