In this expression, bonded potentials were modeled by harmonic (bond stretch and angle bending) and cosine (torsion) potentials, while non-bonded potentials were modeled by Lennard-Jones and Coulombic potentials. The OPLS4 force field was chosen to represent the interactions of protein and fatty acid atoms due to its accuracy in describing a comprehensive chemical space of organic molecules . Meanwhile, water molecules were modeled using the three site SPC model , traditionally used in combination with organic systems at moderate temperatures. Dispersive interactions were limited to a cutoff of 9 Å radius while electrostatic interactions were calculated using the U-series treatment . Unless specified otherwise, MD calculations carried out in the canonical (NVT) ensemble employed the Nosé-Hoover thermostat while the ones carried out in the isothermal-isobaric (NPT) ensemble utilized the same thermostat in addition to the Martyna-Tobias-Klein barostat .