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Antonia Mey

Lecturer and Chancellor's Fellow

Research Interests:
  • Machine learning for chemistry,

  • Molecular simulations,

  • Computer aided drug design

Antonia leads a research group in computational biophysics at the University of Edinburgh combining machine learning and molecular simulation techniques to study the function and regulation of proteins. Her group develops tools for protein-ligand binding predictions and machine-learning algorithms for molecule generation, as well as statistical models for simulation analysis such as Markov state models. These tools help the group to address health challenges around antimicrobial resistance and neurodegenerative diseases.

Antonia’s background is in statistical physics. She obtained a PhD in this area from the University of Nottingham under the supervision of Prof. Juan Garrahan. During her time with Prof. Noé at the Freie Universität Berlin, she developed estimators for Markov state model theory and contributed to software packages for molecular simulation analysis. In Edinburgh, she worked with Prof. Julien Michel on alchemical free energy methods for understanding protein-ligand binding before starting her own research group in 2020.

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