Another critical factor in designing nanomaterials is the complex's payload or drug-load capacity . A high payload capacity is crucial for effective drug delivery, with higher therapeutic effects and minimum side effects . Because the quality of the models and algorithms that the corresponding software uses for molecular docking rely on them, faulty models may produce false positives. In addition, molecular docking and 3D structure heavily depend on the type of data entered into the system; therefore, experimental validation will be required in future studies. In the future, performing MD simulations in water would be more optimal. In addition, these molecular dynamics simulations will better inform whether or not the aptamers would stay with the HER2. Furthermore, the binding energy between the aptamer and HER2 will be determined using MD simulations. To advance the authenticity of the research, experimental methods such as Surface Plasmon Resonance (SPR) or Isothermal Titration Calorimetry (ITC) might be used as a next step after MD simulations . The binding interactions into the HER2 will be explained by these experimental methods.