Molecular Interactions in Chemical and Biological Systems

Elsa Sánchez-García became Professor of Computational Biochemistry at the Center of Medical Biotechnology of Duisburg-Essen University in 2017 and became Professor of Computational Bioengineering at Dortmund University in 2023. Information on her current research is available here. This web page documents the activities of her group at the Max-Planck-Institut für Kohlenforschung (until 2017).
Molecular interactions are of key importance to many chemical and biological processes such as protein folding and function, peptide aggregation, enzymatic reactions, or the stabilization of reactive species, to name but a few. Intermolecular interactions between solvent (water in most cases of biological relevance) and solute molecules determine the aggregation of proteins into fibrils, enzyme catalysis, and other biological processes. In our group we use state of the art computational tools and the construction of new models of complex systems to investigate molecular interactions of proteins, organic molecules, solvents, co-solvents and lipid bilayers. The focus of our research is to explore the properties, reactivity, and applications of complex systems consisting of a large number of interacting molecules.

Research Reports:


Link to the project:

RUB Solvation Science

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