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
Keywords
- BrisSynBio
- Centre for Computational Chemistry
- enzyme catalysis
- Computational and Theoretical Chemistry
- Bristol Computational Biochemistry
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- 1 Similar Profiles
Network
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Simulating Catalysis: Multiscale Embedding Of Machine Learning Potentials
1/05/21 → 30/04/24
Project: Research
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Simulating catalysis: Multiscale embedding of machine learning potentials
1/05/21 → 30/04/24
Project: Research, Parent
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Molecular Determinants of Carbocation Cyclisation in Bacterial Monoterpene Synthases
Leferink, N. G. H., Escorcia Cabrera, A. M., Ouwersloot, B. R., Johanissen, L. O., Hay, S., Van der Kamp, M. W. & Scrutton, N. S., 10 Jan 2022, (E-pub ahead of print) In: ChemBioChem. 23, 5, 10 p., e202100688.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile12 Downloads (Pure) -
Multiscale simulations identify origins of differential carbapenem hydrolysis by the OXA-48 β-lactamase
Hirvonen, V. H. A., Weizmann, T., Mulholland, A. J., Spencer, J. & Van der Kamp, M. W., 3 Apr 2022, In: ACS Catalysis. 12, 8, p. 4534–4544 11 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
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Path to Actinorhodin: Regio- and Stereoselective Ketone Reduction by a Type II Polyketide Ketoreductase Revealed in Atomistic Detail
Serapian, S., Crosby, J., Crump, M. P. & Van der Kamp, M. W., 7 Apr 2022, (E-pub ahead of print) In: JACS Au. 2, 4, p. 972-984 13 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile9 Downloads (Pure)
Datasets
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Evolution of dynamical networks enhances catalysis in a designer enzyme
Bunzel, A. (Creator), Mulholland, A. J. (Creator), Anderson, J. L. R. (Contributor), Hilvert, D. (Contributor), Arcus, V. L. (Contributor) & Van der Kamp, M. W. (Contributor), University of Bristol, 18 Jun 2021
DOI: 10.5523/bris.l6hm9j11yil92bh9rvh27i7ge, http://data.bris.ac.uk/data/dataset/l6hm9j11yil92bh9rvh27i7ge
Dataset
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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
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BBSRC David Phillips Fellowship
Marc W Van der Kamp (Recipient)
1 Dec 2015 → 30 Nov 2020Activity: Other activity types › Fellowship awarded competitively