Table 3.

The systems used in Molecular dynamics (MD) simulations.

Model name1	Box edge (Å)	[Na+] | simulation time
Single strand
ON1	70	0.12 M|120 ns
ON2-5′DNA
		0.20 M|120 ns
Duplex
c-MYCDS19	83	0.10 M|120 ns
c-MYCDS19Hetero		0.25 M|140 ns
Triplex
c-MYCDS19 ⦁ ON2-5′DNA	85	0.12 M|120 ns, 140 ns
c-MYCDS19Hetero ⦁ ON2-5′DNA		0.27 M|220 ns
c-MYCDS19 ⦁ ON2-3′LNA ⦁ reduced	85	0.27 M|200 ns, 140 ns
c-MYCDS19 ⦁ ON2-5′LNA ⦁ reduced
FXNDS19 ⦁ ON4-3′LNA ⦁ reduced	85	0.27 M|200 ns
FXNDS19 ⦁ ON4-5′LNA ⦁ reduced
c-MYCDS19 ⦁ ON3-3′LNA ⦁ reduced-c/t	77	0.15 M|140 ns
c-MYCDS19 ⦁ ON3-5′LNA ⦁ reduced-c/t

¹ONs and target sequences (DS) are shown in Tables 1 and 2, respectively. The triplex is represented by duplex ⦁ ON.