Dr Antonia Mey

Dr Antonia Mey

Christina Miller Research Fellow

Room 287

University of Edinburgh
Joseph Black Building
David Brewster Road

Research Interests

computational chemistry, antimicrobial resistance, cellular organisation and protein dynamics, machine learning, origins of life


  1. Dynamic design: manipulation of millisecond timescale motions on the energy landscape of Cyclophilin A, J. Juárez-Jiménez, A. Gupta, G. Karunanithy, A.S.J.S. Mey, et al. Chem. Sci, accepted (2020)
  2. BioSimSpace: An interoperable Python framework for biomolecular simulation, L.O. Hedges, A.S.J.S. Mey, et al., JOSS, 4, 1831 (2019)
  3. Allosteric effects in a catalytically impaired variant of the enzyme Cyclophilin A may be explained by changes in nano-microsecond time scale motions, P. Wapeesittipan, A.S.J.S. Mey, M. Walkinshaw, J. Michel, Comms. Chem. 2, 41 (2019)
  4. Impact of domain knowledge on blinded predictions of binding energies by alchemical free energy calculations, A.S.J.S. Mey, J. Juárez-Jiménez, J. Michel, J. Comput. Aided. Mol. Des. 32, 199 (2018)