Our group focuses in the use and development of advanced computational methodologies —including computer simulations, integrative single-cell multiomics analyses, and deep learning— to decode complex biological questions, especially within cancer and infectious diseases. By identifying key protein targets and predicting their interactions, we generate valuable knowledge for the design of a new class of antimicrobials and the optimization of small molecule inhibitors. In collaboration with industry partners, we are leveraging data on innovative inhibitors of the ALDH family, targeting potential treatments for triple negative breast cancer (TNBC) and acute myeloid leukemia (AML) and exploring the efficacy of drug combinations. Our ultimate goal is to enhance our understanding of intricate disease mechanisms and provide computational insights that catalyze more effective therapeutic solutions