Fig 2.

Interaction energy of the NP-naproxen complexes: the energy corresponding to interaction between naproxen and NP during the MD simulations revealed a bimodal behavior. A salt bridge between the carboxylate of naproxen and R361 shifted the naproxen from basin I (E_b1 = −55 ± 13 kcal/mol [inset A]) to basin II (E_b2 = −130 ± 14 kcal/mol [inset B]). The docking of naproxen in the extended RNA binding site generated structures with minimum interaction energy (see Fig. 1B) lying in basin II (inset C).