Edinburgh Research Explorer

Dr Julien Michel

Senior Lecturer

  1. 2019
  2. BioSimSpace: An interoperable Python framework for biomolecular simulation

    Hedges, L., Mey, A., Laughton, C., Gervasio, F., Mulholland, A., Woods, C. & Michel, J., 22 Nov 2019, In : Journal of Open Source Software. 4, 43, p. 1831

    Research output: Contribution to journalArticle

  3. Allosteric effects in cyclophilin mutants may be explained by changes in nano-microsecond time scale motions

    Wapeesittipan, P., Mey, A. S. J. S., Walkinshaw, M. D. & Michel, J., 29 Mar 2019, In : Communications Chemistry. 2, 1, 41.

    Research output: Contribution to journalArticle

  4. Effect of set up protocols on the accuracy of alchemical free energy calculation over a set of ACK1 inhibitors

    Granadino-Roldán, J. M., Mey, A. S. J. S., Pérez González, J. J., Bosisio, S., Rubio-Martinez, J. & Michel, J., 12 Mar 2019, In : PLoS ONE. 14, 3, e0213217.

    Research output: Contribution to journalArticle

  5. 2018
  6. Reproducibility of Free Energy Calculations Across Different Molecular Simulation Software

    Loeffler, H. H., Bosisio, S., Duarte Ramos Matos, G., Suh, D., Roux, B., Mobley, D. L. & Michel, J., 5 Oct 2018, In : Journal of Chemical Theory and Computation.

    Research output: Contribution to journalArticle

  7. Biomolecular simulations: From dynamics and mechanisms to computational assays of biological activity

    Huggins, D. J., Biggin, P. C., Dämgen, M. A., Essex, J. W., Harris, S. A., Henchman, R. H., Khalid, S., Kuzmanic, A., Laughton, C. A., Michel, J., Mulholland, A. J., Rosta, E., Sansom, M. S. P. & Van Der Kamp, M. W., 27 Sep 2018, In : Wiley Interdisciplinary Reviews: Computational Molecular Science. p. e1393

    Research output: Contribution to journalArticle

  8. Blinded predictions of standard binding free energies: lessons learned from the SAMPL6 challenge

    Papadourakis, M., Bosisio, S. & Michel, J., 29 Aug 2018, In : Journal of computer-Aided molecular design.

    Research output: Contribution to journalArticle

  9. Metabolism and hydrophilicity of the polarised 'Janus face' all-cis tetrafluorocyclohexyl ring, a candidate motif for drug discovery

    Rodil, A., Bosisio, S., Ayoup, M. S., Quinn, L., Cordes, D. B., Slawin, A. M. Z., Murphy, C. D., Michel, J. & O'Hagan, D., 19 Feb 2018, In : Chemical Science.

    Research output: Contribution to journalArticle

  10. 2017
  11. Impact of domain knowledge on blinded predictions of binding energies by alchemical free energy calculations

    Michel, J., Mey, A. S. J. & Juarez Jimenez, J., 13 Nov 2017, In : Journal of computer-Aided molecular design.

    Research output: Contribution to journalArticle

  12. Pushing the limits of detection of weak binding using fragment based drug discovery: identification of new cyclophilin binders

    Georgiou, C., Mcnae, I., Wear, M., Ioannidis, H., Michel, J. & Walkinshaw, M., 30 Jun 2017, In : Journal of Molecular Biology.

    Research output: Contribution to journalArticle

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