Prof. Sanchez Garcia's field of research is computational chemistry and bioengineering, with emphasis on the development of computational tools and their applications, together with state of the art approaches, to complex biological systems, computer-aided drug design, catalysis, protein engineering, reactive intermediates and solvation science. She occupies the Chair of Computational Bioengineering at the Biochemical and Chemical Engineering Department of the Technical University of Dortmund since 2023.  
Before that, she was Professor of Computational Biochemistry at the Center of Medical Biotechnology, University of Duisburg-Essen. Previously, she was an independent group leader at the Theory Department directed by Prof. Walter Thiel in the Max-Planck-Institut für Kohlenforschung in Mülheim an der Ruhr. Among others, her research has been supported by the Funds of the German Chemical Industry and by the Boehringer Ingelheim Foundation. Prof. Sanchez Garcia is currently principal investigator at the Cluster of Excellence RESOLV EXC 2033 and at the Collaborative Research Centers CRC 1279 “Exploiting the Human Peptidome for Novel Antimicrobial and Anticancer Agents” and the CRC 1430 “Molecular Mechanisms on Cell State Transitions”.