Computer-Aided Drug Design (CADD) is an approach grounded in computational chemistry that employs computer simulations, computations, and predictions to understand the interaction between drugs and biomolecular receptors. This allows us to design and optimize lead compounds. Our proficiencies encompass strategies such as virtual screening, scaffold hopping, and de novo design. We leverage crystal structure to forecast and refine small molecule binding modes within protein structures, enabling us to estimate the affinity between the ligand and the target protein.