Table 3.

Relative free energy changes obtained using the FEP approach outlined in the Methods section. All values are normalized by the free energy change upon adding a single strand of (TAT)₄ to a bare (6,5) SWCNT Uncertainties represent the standard deviation of N = 3 different configurations.

Sequence, i	$\frac{\Delta G_{0\to i}}{\Delta G_{0\to 1\times {(TAT)}_4}}$
4 × (TAT)4	4.15 ± 0.02
4 × TTA(TAT)2ATT	4.06 ± 0.02
4 × C12	3.66 ± 0.02
6 × (GTC)2GT	3.02 ± 0.03