Prof. Dr. Elsa Sánchez-García

Fakultät Bio- und Chemieingenieurwesen

Technische Universität Dortmund

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Computational approaches play an essential role in the study of biological processes and well as in the design and optimization of compounds that can be used for monitoring and regulating such processes. In project B04, we employ novel in-house as well as state-of-the-art computational methodologies including machine learning tools, docking techniques, molecular dynamics simulations and free energy calculations to deliver molecular insights into protein-protein interactions relevant for cell transitions. In addition, our computational strategy allows the in-silico design of chemical tools and inhibitors targeting these processes. This way, in close collaboration with our chemistry and biology experimental partners, we contribute a deeper mechanistic understanding of key cellular processes.