Martin Zacharias

Prof. Dr. Martin Zacharias serves as Chair of Theoretical Biophysics - Molecular Dynamics at the Technical University of Munich (TUM) within the TUM School of Natural Sciences. His research group employs advanced computational methods to investigate biomolecular structure, dynamics, and interactions at atomic resolution.

His research focuses on molecular dynamics simulations of biomolecules, particularly examining protein-protein and protein-DNA interactions, protein folding mechanisms, amyloid structure formation, and thermodynamics of protein-ligand binding. His work integrates computational approaches with experimental validation to understand molecular recognition processes and develop predictive models for biomolecular association.

Notable scientific contributions include pioneering work on biomolecular simulation methodologies, with significant publications in Nature Methods, Science, and Journal of the American Chemical Society. His recent research emphasizes implementing FAIR principles in computational biophysics and applying artificial intelligence to complex biomolecular problems.

• Member of the Faculty of 1000 (2009)
• Affiliate Member PNNL (1999)
• DFG habilitation scholarship holder (1996)
• DFG research fellow (1992)

Prof. Zacharias actively supervises graduate students and leads collaborative research projects investigating fundamental biophysical processes. His laboratory develops and applies molecular simulation techniques to address critical questions in structural biology and drug discovery, with particular emphasis on methodological advancements in computational biophysics.