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

Professor

71 - 80 out of 175Page size: 10
  1. 2013
  2. Published

    Conformational Effects on the pro-S Hydrogen Abstraction Reaction in Cyclooxygenase-1: An Integrated QM/MM and MD Study

    Christov, C. Z., Lodola, A., Karabencheva-Christova, T. G., Wan, S., Coveney, P. V. & Mulholland, A. J., 5 Mar 2013, In : Biophysical Journal. 104, 5, p. L5-L7 3 p.

    Research output: Contribution to journalArticle

  3. Published

    Analysis and assay of oseltamivir-resistant mutants of influenza neuraminidase via direct observation of drug unbinding and rebinding in simulation

    Woods, C. J., Malaisree, M., Long, B. J. O., McIntosh-Smith, S. N. & Mulholland, A. J., 2013, In : Biochemistry. 52, 45, p. 8150–8164

    Research output: Contribution to journalArticle

  4. 2012
  5. Published

    The Basis for Carbapenem Hydrolysis by Class A β-Lactamases: A Combined Investigation using Crystallography and Simulations.

    Fonseca, M. F., Chudyk, E. I., Van der Kamp, M. W., Correia, A., Mulholland, A. J. & Spencer, J., 7 Nov 2012, In : Journal of the American Chemical Society. 134, 44, p. 18275-18285 11 p.

    Research output: Contribution to journalArticle

  6. Published

    Effects of Dispersion in Density Functional Based Quantum Mechanical/Molecular Mechanical Calculations on Cytochrome P450 Catalyzed Reactions

    Lonsdale, R., Harvey, J. N. & Mulholland, A. J., Nov 2012, In : Journal of Chemical Theory and Computation. 8, 11, p. 4637-4645 9 p.

    Research output: Contribution to journalArticle

  7. Published

    Protein dynamics and enzyme catalysis: the ghost in the machine?

    Glowacki, D. R., Harvey, J. N. & Mulholland, A. J., Jun 2012, In : Biochemical Society Transactions. 40, p. 515-521 7 p.

    Research output: Contribution to journalArticle

  8. Published

    Long Time Scale GPU Dynamics Reveal the Mechanism of Drug Resistance of the Dual Mutant I223R/H275Y Neuraminidase from H1N1-2009 Influenza Virus

    Woods, C. J., Malaisree, M., Pattarapongdilok, N., Sompornpisut, P., Hannongbua, S. & Mulholland, A. J., 29 May 2012, In : Biochemistry. 51, 21, p. 4364-4375 12 p.

    Research output: Contribution to journalArticle

  9. Published

    A practical guide to modelling enzyme-catalysed reactions

    Lonsdale, R., Harvey, J. N. & Mulholland, A. J., 21 Apr 2012, In : Chemical Society Reviews. 41, 8, p. 3025-3038 14 p.

    Research output: Contribution to journalReview article

  10. Published

    Determinants of Reactivity and Selectivity in Soluble Epoxide Hydrolase from Quantum Mechanics/Molecular Mechanics Modeling

    Lonsdale, R., Hoyle, S., Grey, D. T., Ridder, L. & Mulholland, A. J., 28 Feb 2012, In : Biochemistry. 51, 8, p. 1774-1786 13 p.

    Research output: Contribution to journalArticle

  11. Published

    Mechanism of C-terminal intein cleavage in protein splicing from QM/MM molecular dynamics simulations

    Mujika, J. I., Lopez, X. & Mulholland, A. J., 14 Feb 2012, In : Organic and Biomolecular Chemistry. 10, 6, p. 1207-18 12 p.

    Research output: Contribution to journalArticle

  12. Published

    Taking Ockham's razor to enzyme dynamics and catalysis

    Glowacki, D. R., Harvey, J. N. & Mulholland, A. J., Jan 2012, In : Nature Chemistry. 4, p. 169-176 8 p.

    Research output: Contribution to journalArticle

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