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

Professor

61 - 70 out of 180Page size: 10
  1. 2014
  2. Published

    Rapid Decomposition and Visualisation of Protein-Ligand Binding Free Energies by Residue and by Water

    Woods, C. J., Malaisree, M., Long, B. J. O., McIntosh-Smith, S. N. & Mulholland, A. J., May 2014. 23 p.

    Research output: Contribution to conferencePaper

  3. Published

    Reaction Mechanism of N-Acetylneuraminic Acid Lyase Revealed by a Combination of Crystallography, QM/MM Simulation, and Mutagenesis

    Daniels, A. D., Campeotto, I., van der Kamp, M. W., Bolt, A. H., Trinh, C. H., Phillips, S. E. V., Pearson, A. R., Nelson, A., Mulholland, A. J. & Berry, A., Apr 2014, In : ACS Chemical Biology. 9, 4, p. 1025-1032 8 p.

    Research output: Contribution to journalArticle

  4. Published

    Comparison of ab Initio, DFT, and Semiempirical QM/MM Approaches for Description of Catalytic Mechanism of Hairpin Ribozyme

    Mlýnský, V., Banáš, P., Šponer, J., van der Kamp, M. W., Mulholland, A. J. & Otyepka, M., 13 Feb 2014, In : Journal of Chemical Theory and Computation. 10, 4, p. 1608-1622 15 p.

    Research output: Contribution to journalArticle

  5. Published

    Role of active site residues in promoting cobalt-carbon bond Homolysis in adenosylcobalamin-dependent Mutases revealed through experiment and computation

    Roman-Melendez, G. D., von Glehn, P., Harvey, J. N., Mulholland, A. J. & Marsh, E. N. G., 14 Jan 2014, In : Biochemistry. 53, 1, p. 169-177 9 p.

    Research output: Contribution to journalArticle

  6. Published

    Rapid decomposition and visualisation of protein-ligand binding free energies by residue and by water

    Woods, C. J., Malaisree, M., Michel, J., Long, B., McIntosh-Smith, S. & Mulholland, A. J., 1 Jan 2014, In : Faraday Discussions. 169, p. 477-499 23 p.

    Research output: Contribution to journalArticle

  7. Published

    A catalytic role for methionine revealed by a combination of computation and experiments on phosphite dehydrogenase

    Ranaghan, K. E., Hung, J. E., Bartlett, G. J., Mooibroek, T. J., Harvey, J. N., Woolfson, D. N., van der Donk, W. A. & Mulholland, A. J., 2014, In : Chemical Science. 5, 6, p. 2191-2199 9 p.

    Research output: Contribution to journalArticle

  8. Published

    QM/MM modelling of drug-metabolizing enzymes

    Lonsdale, R. & Mulholland, A. J., 2014, In : Current Topics in Medicinal Chemistry. 14, 11, p. 1339-1347 9 p.

    Research output: Contribution to journalArticle

  9. 2013
  10. Published

    Computational Assay of H7N9 Influenza Neuraminidase Reveals R292K Mutation Reduces Drug Binding Affinity

    Woods, C. J., Malaisree, M., Long, B. J. O., McIntosh-Smith, S. N. & Mulholland, A. J., 20 Dec 2013, In : Scientific Reports. 3, 6 p., 3561.

    Research output: Contribution to journalArticle

  11. Published

    Conformational Change and Ligand Binding in the Aristolochene Synthase Catalytic Cycle

    van der Kamp, M. W., Sirirak, J., Zurek, J., Allemann, R. K. & Mulholland, A. J., 12 Nov 2013, In : Biochemistry. 52, 45, p. 8094-8105 12 p.

    Research output: Contribution to journalArticle

  12. Published

    Unraveling the role of protein dynamics in dihydrofolate reductase catalysis

    Luk, L., Dawson, W. M., Roca, M., Moliner, V., Allemann, R., Mulholland, A. J., Harvey, J. N., Glowacki, D. R., Loveridge, J., Javier Ruiz Pernia, J. & Tuñón, I., 8 Oct 2013, In : Proceedings of the National Academy of Sciences of the United States of America. 110, 41, p. 16344–16349

    Research output: Contribution to journalArticle

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