All molecular dynamics computations was conducted using Gromacs verision 2022.2. AMBER14SB OL15 force field was used for all computations. Protein-aptamer system was solvated in a dodecahedron box with 1.5 nm distance, using a spc/e model of water. Ions (Na+) were added until neutralization of the system charge. MM/PBSA energies were computed using gmx_MMPBSA package . Steered molecular dynamics and umbrella sampling were adopted from the seminal paper .