Projects per year
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.
As a BBSRC David Phillips Fellow (affiliated with the BrisSynBio research centre), I will investigate 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 will be developed. 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.
Other research interests are: enzymes involved in antibiotic resistance, computational simulation methods to aid drug design and fundamental principles of enzyme catalysis.
Structured keywords and research groupings
- BcompB
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Projects
- 3 Active
8043 BBSRC FTMA - Testing Fukui function-based activity descriptors for efficient in silico biocatalyst screening
1/06/20 → 28/02/21
Project: Research
Multi-scale enzyme modelling for SynBio: optimizing biocatalysts for selective synthesis of bioactive compounds
1/12/15 → 30/11/20
Project: Research
Research Output
- 59 Article (Academic Journal)
Enzyme Evolution and the Temperature Dependence of Enzyme Catalysis
Arcus, V. L., Van Der Kamp, M. W., Pudney, C. R. & Mulholland, A. J., 4 Jun 2020, (Accepted/In press) In : Current Opinion in Structural Biology.Research output: Contribution to journal › Article (Academic Journal)
Peptide cargo tunes a network of correlated motions in human leukocyte antigens
Hopkins, J. R., Crean, R. M., Catici, D. A. M., Sewell, A. K., Arcus, V. L., Van Der Kamp, M. W., Cole, D. & Pudney, C. R., 5 Mar 2020, In : FEBS Journal. 17 p.Research output: Contribution to journal › Article (Academic Journal)
Open Access
File
Small changes in hydration determine cephalosporinase activity of OXA-48 β-lactamases
Hirvonen, V. H. A., Mulholland, A. J., Spencer, J. & Van Der Kamp, M. W., 15 May 2020, In : ACS Catalysis.Research output: Contribution to journal › Article (Academic Journal)
Datasets
Simulation of Functional Motions in Enzymes
Woods, C. J. (Creator), Van Der Kamp, M. W. (Creator), McGeagh, J. (Contributor) & Mulholland, A. J. (Data Manager), University of Bristol, 14 Jul 2015
DOI: 10.5523/bris.1klro7qjw27xi19qrcs1bb2nt6, http://data.bris.ac.uk/data/dataset/1klro7qjw27xi19qrcs1bb2nt6
Dataset
Activities
- 1 Fellowship awarded competitively
BBSRC David Phillips Fellowship
Marc W Van der Kamp (Recipient)
1 Dec 2015 → 30 Nov 2020
Activity: Other activity types › Fellowship awarded competitively