Skip to content

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

Professor

61 - 70 out of 175Page size: 10
  1. 2014
  2. 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

  3. 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

  4. 2013
  5. 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

  6. 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

  7. 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

  8. Published

    QM/MM modelling of ketosteroid isomerase reactivity indicates that active site closure is integral to catalysis

    van der Kamp, M. W., Chaudret, R. & Mulholland, A. J., Jul 2013, In : FEBS Journal. 280, 13, p. 3120-3131 12 p.

    Research output: Contribution to journalArticle

  9. Published

    Nonempirical Energetic Analysis of Reactivity and Covalent Inhibition of Fatty Acid Amide Hydrolase

    Chudyk, E. I., Dyguda-Kazimierowicz, E., Langner, K. M., Sokalski, W. A., Lodola, A., Mor, M., Sirirak, J. & Mulholland, A. J., 6 Jun 2013, In : Journal of Physical Chemistry B. 117, 22, p. 6656-6666 11 p.

    Research output: Contribution to journalArticle

  10. Published

    Quantum Mechanics/Molecular Mechanics Modeling of Regioselectivity of Drug Metabolism in Cytochrome P450 2C9

    Lonsdale, R., Houghton, K. T., Zurek, J., Bathelt, C. M., Foloppe, N., de Groot, M. J., Harvey, J. N. & Mulholland, A. J., 29 May 2013, In : Journal of the American Chemical Society. 135, 21, p. 8001-8015 15 p.

    Research output: Contribution to journalArticle

  11. Published

    Combined quantum mechanics/molecular mechanics (QM/MM) methods in computational enzymology

    van der Kamp, M. W. & Mulholland, A. J., 23 Apr 2013, In : Biochemistry. 52, 16, p. 2708-28 21 p.

    Research output: Contribution to journalArticle

  12. Published

    Quantum mechanics/molecular mechanics modeling of fatty acid amide hydrolase reactivation distinguishes substrate from irreversible covalent inhibitors

    Lodola, A., Capoferri, L., Rivara, S., Tarzia, G., Piomelli, D., Mulholland, A. & Mor, M., 28 Mar 2013, In : Journal of Medicinal Chemistry. 56, 6, p. 2500-2512 13 p.

    Research output: Contribution to journalArticle

Previous 1...3 4 5 6 7 8 9 10 ...18 Next