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

Professor

11 - 20 out of 175Page size: 10
  1. 2019
  2. Published

    Quantum Mechanics/Molecular Mechanics Simulations Show Saccharide Distortion is Required for Reaction in Hen Egg-White Lysozyme

    Limb, M. A. L., Suardiaz Del Rio, R., Grant, I. M. & Mulholland, A., 15 Jan 2019, In : Chemistry - A European Journal. 25, 3, p. 764-768 5 p.

    Research output: Contribution to journalArticle

  3. 2018
  4. Published

    Maintaining and breaking symmetry in homomeric coiled-coil assemblies

    Rhys, G., Wood, C. W., Lang, E. J. M., Mulholland, A., Brady, R. L., Thomson, A. & Woolfson, D., 1 Dec 2018, In : Nature Communications. 9, 1, 12 p., 4132.

    Research output: Contribution to journalArticle

  5. Published

    Loop Motion in Triosephosphate Isomerase is not a Simple Open and Shut Case

    Liao, Q., Kulkarni, Y., Sengupta, U., Petrovic, D., Mulholland, A., Van der Kamp, M., Strodel, B. & Kamerlin, S. C. L., 21 Nov 2018, In : Journal of the American Chemical Society. 140, 46, p. 15889-15903 15 p.

    Research output: Contribution to journalArticle

  6. E-pub ahead of print

    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. 23 p., e1393.

    Research output: Contribution to journalArticle

  7. E-pub ahead of print

    A multiscale simulation approach to modelling drug-protein binding kinetics

    Haldar, S., Comitani, F., Saladino, G., Woods, C., Van der Kamp, M., Mulholland, A. & Gervasio, F. L., 13 Sep 2018, In : Journal of Chemical Theory and Computation. 9 p.

    Research output: Contribution to journalArticle

  8. Published

    Combined Quantum Mechanics and Molecular Mechanics Studies of Enzymatic Reaction Mechanisms

    Ainsley, J., Lodola, A., Mulholland, A. J., Christov, C. Z. & Karabencheva-Christova, T. G., 13 Aug 2018, Computational Molecular Modelling in Structural Biology. Karabencheva-Christova, T. G. & Christov, C. Z. (eds.). Elsevier Inc., p. 1-32 32 p. (Advances in Protein Chemistry and Structural Biology; vol. 113).

    Research output: Chapter in Book/Report/Conference proceedingChapter in a book

  9. Published

    De Novo-Designed α-Helical Barrels as Receptors for Small Molecules

    Thomas, F., Dawson, W., Lang, E., Burton, A., Bartlett, G., Rhys, G., Mulholland, A. & Woolfson, D., 20 Jul 2018, In : ACS Synthetic Biology. 7, 7, p. 1808-1816 9 p.

    Research output: Contribution to journalArticle

  10. Published

    Unlocking Nicotinic Selectivity via Direct C‒H Functionalization of ()-Cytisine

    Rego Campello, H., Garcia Del Villar, S., Honraedt, A., Minguez Viñas, T., Oliveira, S., Ranaghan, K., Shoemark, D., Bermudez, I., Gotti, C., Sessions, R., Mulholland, A., Wonnacott, S. & Gallagher, T., 12 Jul 2018, In : Chem. 4, 7, p. 1710-1725 16 p.

    Research output: Contribution to journalArticle

  11. Published

    Understanding Complex Mechanisms of Enzyme Reactivity: The Case of Limonene-1,2-Epoxide Hydrolases

    Rinaldi, S., Van Der Kamp, M. W., Ranaghan, K. E., Mulholland, A. J. & Colombo, G., 6 Jul 2018, In : ACS Catalysis. 8, 7, p. 5698-5707 10 p.

    Research output: Contribution to journalArticle

  12. Published

    Sampling molecular conformations and dynamics in a multiuser virtual reality framework

    O'Connor, M., Deeks, H., Dawn, E., Metatla, O., Roudaut, A., Sutton, M., Thomas, L. M. M., Glowacki, B. R., Sage, R., Tew, P., Wonnacott, M., Bates, P., Mulholland, A. & Glowacki, D., 29 Jun 2018, In : Science Advances. 4, 9, 10 p., eaat2731.

    Research output: Contribution to journalArticle

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