All system setup was carried out via BioSimSpace. The proteins were parameterized using the AMBER ff14SB forcefield, and GAFF2 with the AM1-BCC charge method was used for the ligands. cAMP was modelled with a charge of -1, and I942 was modelled as neutral. All systems were solvated in TIP3P water with a 15 Å shell and a 150 mM NaCl concentration, adding ions as needed to neutralize the system. In all cases, energy minimization was carried out for 7500 steps, heating to 300 K for 500 ps, and further equilibration for 2 ns, all using GROMACS 2020.2. Particle Mesh Ewald (PME) was used, with a direct space cutoff of 12 Å.