Multi-scale enzyme modelling for SynBio: optimizing biocatalysts for selective synthesis of bioactive compounds

Project Details

StatusActive
Effective start/end date1/12/1530/11/20

Research Output

  • 13 Article (Academic Journal)

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 (Academic Journal)

Open Access
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  • 5 Citations (Scopus)
    261 Downloads (Pure)
    Open Access
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  • 14 Citations (Scopus)
    225 Downloads (Pure)

    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 (Academic Journal)

    Open Access
    File
  • 7 Citations (Scopus)
    166 Downloads (Pure)