Content type
Profiles
Search results
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Dr Deborah K Shoemark
- School of Biochemistry - Honorary Senior Research Associate
Person: Honorary and Visiting Academic
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Dr Jessica A A Cross
Person: Academic
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Professor Anne J Ridley
- School of Cellular and Molecular Medicine - Professor
- Cancer
Person: Academic , Member
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Dr Reynier Suardíaz
- School of Biochemistry - Honorary Senior Research Fellow
Person: Honorary and Visiting Academic
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Professor Adrian J Mulholland
- Infection and Immunity
- School of Chemistry - Professor
Person: Academic , Member
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Dr Marc W Van der Kamp
- School of Biochemistry - Associate Professor in Computational Biochemistry
Person: Academic
Research units
Search results
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Bristol Computational Biochemistry group
Organisational unit: Research Grouping
Research Outputs
Search results
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Elfin UI: a graphical interface for protein design with modular building blocks
Yeh, C.-T., Obendorf, L. & Parmeggiani, F., 23 Oct 2020, (E-pub ahead of print) In: Frontiers in Bioengineering and Biotechnology.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile2 Citations (Scopus)191 Downloads (Pure) -
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, (E-pub ahead of print) In: Royal Society Open Science. 5, 9 p., 171390.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile21 Citations (Scopus)303 Downloads (Pure) -
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 journal › Article (Academic Journal) › peer-review
Open AccessFile67 Citations (Scopus)422 Downloads (Pure) -
Drug binding poses relate structure with efficacy in the μ opioid receptor
Sutcliffe, K. J., Henderson, G., Kelly, E. & Sessions, R. B., 16 Jun 2017, In: Journal of Molecular Biology. 429, 12, p. 1840-1851 12 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile26 Citations (Scopus)451 Downloads (Pure) -
Insights into the Enhanced Ceftazidime Hydrolysis by Ent385 AmpC β-lactamase from Multiscale Simulations
Lima, A. H. & Van der Kamp, M. W., 4 Jul 2025, In: ACS Catalysis. 15, 13, p. 11739-11748 10 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open Access -
QM/MM simulations identify the determinants of catalytic activity differences between type II dehydroquinase enzymes
Lence, E., van der Kamp, M. W., González-Bello, C. & Mulholland, A. J., 20 Jun 2018, In: Organic and Biomolecular Chemistry. 16, 24, p. 4443-4455 13 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile19 Citations (Scopus)299 Downloads (Pure)
Projects
Search results
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Reactive Scattering Dynamics at the Gas-Liquid Interface: Bridging the Gap between the Gas-Phase and Solution
Glowacki, D. R. (Principal Investigator)
30/06/15 → 29/06/21
Project: Research
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Multi-scale enzyme modelling for SynBio: optimizing biocatalysts for selective synthesis of bioactive compounds
Van der Kamp, M. W. (Principal Investigator)
1/12/15 → 31/05/21
Project: Research
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Scalable electronic structure theory: the embedded electron-pair approximation
Manby, F. R. (Principal Investigator)
1/05/13 → 1/05/16
Project: Research
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COMPUTATIONAL BIOCHEMISTRY: PREDICTIVE MODELLING FOR BIOLOGY AND MEDICINE
Mulholland, A. J. (Principal Investigator)
1/10/08 → 1/04/14
Project: Research
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CCP-BioSim: Biomolecular simulation at the life sciences interface
Mulholland, A. J. (Principal Investigator)
1/10/11 → 1/10/15
Project: Research
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BrisSynBio: Bristol Centre for Synthetic Biology
Woolfson, D. N. (Principal Investigator)
31/07/14 → 31/03/22
Project: Research