Solvation and force field assignment was achieved through a combination of AmberTools 18 and GROMACS 2019 . Ligand parameters and partial charges were assigned using the GAFF2 force field and the AM1-BCC partial charge model. The ff99SB-ILDN force field was used for protein parameters and the complexes were solvated in TIP3P cubic boxes with a minimum distance of 12Å from the solute to the box edge using GROMACS' solvate module.