Marc W Van der Kamp

View Scopus Profile

Dr Marc W Van der Kamp

M.Sc.(Wageningen), PhD(Bristol)

 https://orcid.org/0000-0002-8060-3359

  • BS8 1TD

Personal profile

Research interests

Research in my group involves the use of biomolecular simulation to investigate and predict the behaviour of biomolecules. Of particular interest are enzymes and their specificity, catalysis and dynamics. The main techniques used are combined quantum mechanical / molecular mechanical modelling (QM/MM) and molecular dynamics simulation. The current primary area of interest is the use and development of biomolecular simulation protocols to aid development of biocatalysts.

Starting as a BBSRC David Phillips Fellow (2015-2021) I investigated biosynthetic enzymes that are responsible for a wide range of natural products, such as terpene and polyketide synthases. To efficiently tackle the chemical and structural complexity involved in the catalytic cycles of these enzymes, new simulation protocols and methods are developed and applied. By modifying enzymes according to predictions from simulation, in collaboration with experimentalists, the aim is to develop new biocatalysts for the sustainable production of high-value chemicals.

Similar methods are also used to gain insights for tackling the important problem of antibiotic resistance. We study a range of beta-lactamase enzymes, in particular focusing on how these can change (evolve) to efficiently breakdown even so-called 'last resort' antiobiotic treatments.

Our overall research interests are: enzymes involved in antibiotic resistance, computational simulation methods to aid enzyme engineering and (biologic) drug design, and understanding the fundamental principles of enzyme catalysis.

Research Groups and Themes

  • BcompB

Keywords

  • BrisSynBio
  • Centre for Computational Chemistry
  • enzyme catalysis
  • Computational and Theoretical Chemistry
  • Bristol Computational Biochemistry

Fingerprint

Dive into the research topics where Marc W Van der Kamp is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
  • 1 Similar Profiles
View full fingerprint

Collaborations and top research areas from the last five years

Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
Explore network further

  • The need to implement FAIR principles in biomolecular simulations

    Amaro, R. E., Åqvist, J., Bahar, I., Battistini, F., Bellaiche, A., Beltran, D., Biggin, P. C., Bonomi, M., Bowman, G. R., Bryce, R. A., Bussi, G., Carloni, P., Case, D. A., Cavalli, A., Chang, C.-E. A., Cheatham, T. E., Cheung, M. S., Chipot, C., Chong, L. T. & Choudhary, P. & 109 others, Cisneros, G. A., Clementi, C., Collepardo-Guevara, R., Coveney, P., Covino, R., Crawford, T. D., Dal Peraro, M., de Groot, B. L., Delemotte, L., De Vivo, M., Essex, J. W., Fraternali, F., Gao, J., Gelpí, J. L., Gervasio, F. L., González-Nilo, F. D., Grubmüller, H., Guenza, M. G., Guzman, H. V., Harris, S., Head-Gordon, T., Hernandez, R., Hospital, A., Huang, N., Huang, X., Hummer, G., Iglesias-Fernández, J., Jensen, J. H., Jha, S., Jiao, W., Jorgensen, W. L., Kamerlin, S. C. L., Khalid, S., Laughton, C., Levitt, M., Limongelli, V., Lindahl, E., Lindorff-Larsen, K., Loverde, S., Lundborg, M., Luo, Y. L., Luque, F. J., Lynch, C. I., MacKerell, A. D., Magistrato, A., Marrink, S. J., Martin, H., McCammon, J. A., Merz, K., Moliner, V., Mulholland, A. J., Murad, S., Naganathan, A. N., Nangia, S., Noe, F., Noy, A., Oláh, J., O'Mara, M. L., Ondrechen, M. J., Onuchic, J. N., Onufriev, A., Osuna, S., Palermo, G., Panchenko, A. R., Pantano, S., Parish, C., Parrinello, M., Perez, A., Perez-Acle, T., Perilla, J. R., Pettitt, B. M., Pietropaolo, A., Piquemal, J.-P., Poma, A. B., Praprotnik, M., Ramos, M. J., Ren, P., Reuter, N., Roitberg, A., Rosta, E., Rovira, C., Roux, B., Rothlisberger, U., Sanbonmatsu, K. Y., Schlick, T., Shaytan, A. K., Simmerling, C., Smith, J. C., Sugita, Y., Świderek, K., Taiji, M., Tao, P., Tieleman, D. P., Tikhonova, I. G., Tirado-Rives, J., Tuñón, I., van der Kamp, M. W., van der Spoel, D., Velankar, S., Voth, G. A., Wade, R., Warshel, A., Welborn, V. V., Wetmore, S. D., Wheeler, T. J., Wong, C. F., Yang, L.-W., Zacharias, M. & Orozco, M., 2 Apr 2025, In: Nature Methods. 22, 4, p. 641-645 5 p., 268.

    Research output: Contribution to journal › Article (Academic Journal) › peer-review

    Open Access
    File
    1 Citation (Scopus)

  • 4-Thiaproline accelerates the slow folding phase of proteins containing cis prolines in the native state by two orders of magnitude

    Loughlin, J. O., Zinovjev, K., Napolitano, S., van der Kamp, M. & Rubini, M., 23 Jan 2024, In: Protein science : a publication of the Protein Society. 33, 2, 12 p., e4877.

    Research output: Contribution to journal › Article (Academic Journal) › peer-review

    Open Access
    1 Citation (Scopus)

  • Antibiotic Origami: Selective Formation of Spirotetronates in Abyssomicin Biosynthesis

    Mbatha, S. Z., Back, C., Devine, A. J., Mulliner, H. M., Johns, S. T., Lewin, H., Cheung, K. A., Zorn, K., Stach, J. E. M., Hayes, M. A., Van der Kamp, M. W., Race, P. R. & Willis, C. L., 12 Aug 2024, (E-pub ahead of print) In: Chemical Science. 15, 34, p. 14009-14015 7 p.

    Research output: Contribution to journal › Article (Academic Journal) › peer-review

    Open Access
View all 103 research outputs
View all 7 projects
View all 8 datasets
  • 1 Fellowship awarded competitively