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Dr Marc W Van Der KampM.Sc.(Wageningen), PhD(Bristol)

Senior Research Fellow

11 - 20 out of 55Page size: 10
  1. 2018
  2. 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

  3. 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

  4. 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

  5. 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

  6. 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

  7. 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

  8. Published

    Uncovering the Relationship between the Change in Heat Capacity for Enzyme Catalysis and Vibrational Frequency through Isotope Effect Studies

    Jones, H. B. L., Crean, R. M., Matthews, C., Troya, A. B., Danson, M. J., Bull, S. D., Arcus, V. L., Van Der Kamp, M. W. & Pudney, C. R., 28 Apr 2018, In : ACS Catalysis. 8, p. 5340-5349 10 p.

    Research output: Contribution to journalArticle

  9. 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

  10. 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

  11. 2017
  12. Published

    Quantum mechanics/molecular mechanics simulations identify the ring-opening mechanism of creatininase

    Jitonnom, J., Mujika, J. I., van der Kamp, M. W. & Mulholland, A. J., 15 Nov 2017, In : Biochemistry. 56, 48, p. 6377-6388 12 p.

    Research output: Contribution to journalArticle