Enhanced MD simulations can be robust methods for investigating complex molecular systems. However, significant challenges are often encountered while predicting the kinetics and thermodynamics of receptor-ligand (un)binding. One such challenge is accurately representing non-covalent interactions at the binding site. While general force fields describe the potential energy landscape across a broad range of biomolecular configurations, incorporating quantum mechanics (QM) to tune the force field parameters can precisely describe non-covalent interactions at the binding site for the conformations examined with QM. Our approach focuses on reparameterizing the potential energy landscape of the receptor-ligand complex within the bound state conformation. Despite the effectiveness of classical force fields in successfully replicating equilibrium properties and binding affinities, MD simulations face challenges in accurately predicting kinetic parameters . Recent investigations have extensively explored this issue, revealing noteworthy disparities between simulation results and experimental data and underscoring the growing realization that classical force fields might need to better capture the complexity of dynamics at transition states . Consequently, two promising avenues for improvement have surfaced. The first involves adopting polarizable force fields, a paradigm shift from tra-ditional fixed-charge models . Secondly, quantum mechanics/molecular mechanics (QM/MM) simulations show promise to enhance rate prediction accuracy . In QM/MM simulations, specific regions (such as the ligand and binding site) are treated at the quantum mechanical level, allowing for precisely describing electronic properties during molecular events. These simulations have demonstrated their potential in modeling the complex kinetics of binding and unbinding processes . Furthermore, ongoing research efforts aim to refine parametrization strategies for classical force fields, integrating kinetic information and addressing polarization issues within fixed-charge schemes .