A recent study led by Dr. Rafael Bernardi at Auburn University combines AI and molecular dynamics simulations to predict binding sites in protein-protein interactions.
The team's integrated approach demonstrates that the perpendicular binding pose of PD-L1:Affibody complexes is more stable than the parallel configuration.
The study's findings have implications beyond cancer immunotherapy and can be applied to other proteins for developing new treatments and accelerating drug discovery.
The research highlights the importance of interdisciplinary collaboration and sets a new standard for developing targeted cancer therapies and personalized medicine.