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Professor Adrian J MulhollandB.Sc.(Bristol), D.Phil.(Oxon.)

Professor

21 - 30 out of 175Page size: 10
  1. 2018
  2. Published

    Structural Insights from Molecular Dynamics Simulations of Tryptophan 7-Halogenase and Tryptophan 5-Halogenase

    Ainsley, J., Mulholland, A. J., Black, G. W., Sparagano, O., Christov, C. Z. & Karabencheva-Christova, T. G., 31 May 2018, In : ACS Omega. 3, 5, p. 4847-4859 13 p.

    Research output: Contribution to journalArticle

  3. E-pub ahead of print

    Multiscale simulations of clavulanate inhibition identify the reactive complex in class A β-lactamases and predict efficiency of inhibition

    Fritz, R., Alzate-Morales, J. H., Spencer, J., Mulholland, A. J. & Van Der Kamp, M. W., 29 May 2018, In : Biochemistry. 4 p.

    Research output: Contribution to journalArticle

  4. E-pub ahead of print

    QM/MM simulations identify the determinants of catalytic activity differences between type ii dehydroquinase enzymes

    Lence Quintana, E., Van der Kamp, M., González-Bello, C. & Mulholland, A., 16 May 2018, In : Organic and Biomolecular Chemistry. 16, 24, p. 4443-4455

    Research output: Contribution to journalArticle

  5. Published

    Experiment and Simulation Reveal How Mutations in Functional Plasticity Regions Guide Plant Monoterpene Synthase Product Outcome

    Leferink, N. G. H., Ranaghan, K. E., Karuppiah, V., Currin, A., Van Der Kamp, M. W., Mulholland, A. J. & Scrutton, N. S., 4 May 2018, In : ACS Catalysis. 8, 5, p. 3780-3791 12 p.

    Research output: Contribution to journalArticle

  6. Published

    Multiscale Methods in Drug Design Bridge Chemical and Biological Complexity in the Search for Cures

    Amaro, R. E. & Mulholland, A. J., 11 Apr 2018, In : Nature reviews. Chemistry. 2, 4, 0148.

    Research output: Contribution to journalArticle

  7. Published

    Biocatalytic Routes to Lactone Monomers for Polymer Production

    Messiha, H. L., Ahmed, S. T., Karuppiah, V., Suardiaz, R., Ascue Avalos, G. A., Fey, N., Yeates, S., Toogood, H. S., Mulholland, A. J. & Scrutton, N. S., 3 Apr 2018, In : Biochemistry. 57, 13, p. 1997-2008 12 p.

    Research output: Contribution to journalArticle

  8. Published

    Dynamical origins of heat capacity changes in enzyme-catalysed reactions

    Van Der Kamp, M. W., Prentice, E. J., Kraakman, K. L., Connolly, M., Mulholland, A. J. & Arcus, V. L., 21 Mar 2018, In : Nature Communications. 9, 1, 7 p., 1177.

    Research output: Contribution to journalArticle

  9. E-pub ahead of print

    Multiscale analysis of enantioselectivity in enzyme-catalysed ‘lethal synthesis’ using projector-based embedding

    Zhang, X., Bennie, S., Van der Kamp, M., Glowacki, D., Manby, F. & Mulholland, A., 14 Feb 2018, In : Royal Society Open Science. 5, 9 p., 171390.

    Research output: Contribution to journalArticle

  10. E-pub ahead of print

    L718Q mutant EGFR escapes covalent inhibition by stabilizing a non-reactive conformation of the lung cancer drug osimertinib

    Callegari, D., Ranaghan, K., Woods, C., Minari, R., Tiseo, M., Mor, M., Mulholland, A. & Lodola, A., 12 Feb 2018, In : Chemical Science. 10 p.

    Research output: Contribution to journalArticle

  11. Published

    Sampling molecular conformations and dynamics in a multi-user virtual reality framework

    Connor, M. O., Deeks, H. M., Dawn, E., Metatla, O., Roudaut, A., Sutton, M., Glowacki, B. R., Sage, R., Tew, P., Wonnacott, M., Bates, P., Mulholland, A. J. & Glowacki, D. R., 9 Jan 2018, In : arXiv.

    Research output: Contribution to journalArticle

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