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

Research Fellow

11 - 20 out of 51Page size: 10
  1. 2018
  2. 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

  3. 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

  4. 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

  5. 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

  6. 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

  7. 2017
  8. 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

  9. Published

    Identification of the quinolinedione inhibitor binding site in Cdc25 phosphatase B through docking and molecular dynamics simulations

    Ge, Y., van der Kamp, M., Malaisree, M., Liu, D., Liu, Y. & Mulholland, A. J., 1 Nov 2017, In : Journal of Computer-Aided Molecular Design. 31, 11, p. 995-1007 13 p.

    Research output: Contribution to journalArticle

  10. Published

    Structural basis of catalysis in the bacterial monoterpene synthases linalool synthase and 1,8-cineole synthase

    Karuppiah, V., Ranaghan, K., Leferink, N. G. H., Johannissen, LO., Shanmugam, M., Cheallaigh, A. N., Bennett, N. J., Kearsey, L. J., Takano, E., Gardiner, J. M., Van der Kamp, M., Hay, S., Mulholland, A., Leys, D. & Scrutton, NS., 9 Aug 2017, In : ACS Catalysis. 7, 9, p. 6268-6282 15 p.

    Research output: Contribution to journalArticle

  11. Published

    Simulations of membrane-bound diglycosylated human prion protein reveal potential protective mechanisms against misfolding

    Cheng, C. J., Koldsø, H., Van der Kamp, M., Schiøtt, B. & Daggett, V., Jul 2017, In : Journal of Neurochemistry. 142, 1, p. 171-182 13 p.

    Research output: Contribution to journalArticle

  12. Published

    Atomistic non-adiabatic dynamics of the LH2 complex with a GPU-accelerated ab initio exciton model

    Sisto, A., Van der Kamp, M., Stross, C., O'Connor, M., McIntosh-Smith, S., Johnson, G. T., Hohenstein, E. G., Manby, F., Glowacki, D. & Martinez, T., 21 Jun 2017, In : Physical Chemistry Chemical Physics. 19, 23, p. 14924-14936 13 p.

    Research output: Contribution to journalArticle