Student theses
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Analysis of enzyme dynamics and calculation of activation heat capacity from simulation
Author: Connolly, M. S., 25 Jan 2022Supervisor: Mulholland, A. J. (Supervisor)
Student thesis: Doctoral Thesis › Doctor of Philosophy (PhD)
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Atmospheric inverse modelling of biospheric carbon dioxide fluxes in the UK and Europe
Author: White, E., 19 Mar 2019Supervisor: Rigby, M. (Supervisor)
Student thesis: Doctoral Thesis › Doctor of Philosophy (PhD)
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Biomolecular Applications of Interactive Molecular Dynamics in Virtual Reality
Author: Deeks, H. M., 21 Jan 2021Supervisor: Glowacki, D. R. (Supervisor) & Mulholland, A. J. (Supervisor)
Student thesis: Doctoral Thesis › Doctor of Philosophy (PhD)
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Causes, Magnitudes and Atmospheric Implications of Kinetically Limited Diffusion in Organic Aerosol
Author: Ingram, S. T., 6 Dec 2019Supervisor: Reid, J. P. (Supervisor) & Glowacki, D. R. (Supervisor)
Student thesis: Doctoral Thesis › Doctor of Philosophy (PhD)
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Cobalt and beryllium in diamond: experimental and first-principles calculations of magnetic and electronic properties
Author: Yang, L., 2 Dec 2021Supervisor: Allan, N. (Supervisor) & May, P. (Supervisor)
Student thesis: Doctoral Thesis › Doctor of Philosophy (PhD)
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Computational design, construction, and characterisation of artificial peroxidases
Author: Jenkins, J., 19 Mar 2019Supervisor: Anderson, R. (Supervisor) & Mulholland, A. (Supervisor)
Student thesis: Doctoral Thesis › Doctor of Philosophy (PhD)
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Computational Design and Structural Characterization of de novo Heme Maquettes
Author: Hutchins, G., 24 Jun 2021Supervisor: Anderson, J. L. R. (Supervisor) & Mulholland, A. J. (Supervisor)
Student thesis: Doctoral Thesis › Doctor of Philosophy (PhD)
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Design and applications of enzyme powered motile hybrid organic/inorganic-microcapsules
Author: Peschke, P. M., 12 May 2022Supervisor: Mulholland, A. (Supervisor), Mann, S. (Supervisor) & Patil, A. J. (Supervisor)
Student thesis: Doctoral Thesis › Doctor of Philosophy (PhD)
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Estimating London’s methane emissions using a novel urban observation system
Author: Hoare, D. T., 6 Dec 2022Supervisor: Rigby, M. L. (Supervisor)
Student thesis: Doctoral Thesis › Doctor of Philosophy (PhD)
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Experimental and computational studies of unusual P-donor ligands and their coordination chemistry
Author: Newby, M. R., 25 Jan 2022Supervisor: Pringle, P. (Supervisor) & Fey, N. (Supervisor)
Student thesis: Master's Thesis › Unspecified Master's Degree
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Hard Sphere Nucleation Rates
Author: Wood, N. H., 1 Oct 2019Supervisor: Royall, C. (Supervisor)
Student thesis: Doctoral Thesis › Doctor of Philosophy (PhD)
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Interactive molecular dynamics in virtual reality: applications for protein-ligand systems
Author: Walters, R. K., 21 Jun 2022Supervisor: Mulholland, A. J. (Supervisor) & Glowacki, D. R. (Supervisor)
Student thesis: Doctoral Thesis › Doctor of Philosophy (PhD)
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Mechanism of the Mobile Colistin Resistance enzyme, MCR-1
Author: Lythell, E., 6 Dec 2022Supervisor: Spencer, J. (Supervisor) & Mulholland, A. J. (Supervisor)
Student thesis: Doctoral Thesis › Doctor of Philosophy (PhD)
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Microfluidic Emulsification and Force Transmissions in Colloidal Systems
Author: Dong, J., 24 Mar 2020Supervisor: Royall, C. P. (Supervisor)
Student thesis: Doctoral Thesis › Doctor of Philosophy (PhD)
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Modelling {100} CVD Diamond Growth Using Kinetic Monte Carlo
Author: Williams, M. D. G., 22 Mar 2022Supervisor: May, P. W. (Supervisor) & Allan, N. L. (Supervisor)
Student thesis: Doctoral Thesis › Doctor of Philosophy (PhD)
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Modelling the reactivity of cysteine targeting covalent inhibitors
Author: Voice, A., 23 Mar 2021Supervisor: Mulholland, A. J. (Supervisor)
Student thesis: Doctoral Thesis › Doctor of Philosophy (PhD)
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Modelling the reactivity of glutamate mutase and heme dioxygenase enzymes
Author: Von Glehn, P., 6 Jan 2015Supervisor: Harvey, J. N. (Supervisor) & Mulholland, A. J. (Supervisor)
Student thesis: Doctoral Thesis › Doctor of Philosophy (PhD)
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Novel, Low-Cost Computational Methods for Predicting the Electronic Structure of Molecules
Author: Wiles, T. C. W., 28 Nov 2019Supervisor: Manby, F. R. (Supervisor)
Student thesis: Doctoral Thesis › Doctor of Philosophy (PhD)
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Quasi-equilibrium approaches to the high-density liquid
Author: Robinson, J. F., 23 Jan 2020Supervisor: Royall, C. P. (Supervisor)
Student thesis: Doctoral Thesis › Doctor of Philosophy (PhD)
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Routes to inhibitors of colistin antibiotic resistance mediated by bacterial phosphoethanolamine transferases: computational and microbiological investigations
Author: Yang, Z., 21 Jun 2022Supervisor: Spencer, J. (Supervisor) & Mulholland, A. J. (Supervisor)
Student thesis: Doctoral Thesis › Doctor of Philosophy (PhD)
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Structure and Lengthscales in Glassy Systems
Author: Crowther, P., 28 Nov 2019Supervisor: Royall, C. P. (Supervisor)
Student thesis: Doctoral Thesis › Doctor of Philosophy (PhD)
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Substrate and Inhibitor Interactions of Class A β-Lactamases
Author: Tooke, C. L., 23 Jan 2020Supervisor: Spencer, J. (Supervisor) & Mulholland, A. J. (Supervisor)
Student thesis: Doctoral Thesis › Doctor of Philosophy (PhD)
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The Southern Ocean seasonal cycle of N 2 O, an atmospheric modelling study.
Author: Byrne, L., 23 Jan 2019Supervisor: Rigby, M. (Supervisor) & Ganesan, A. (Supervisor)
Student thesis: Master's Thesis › Master of Science (MSc)
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Transition metal catalysis for chemically fuelled rotary molecular-level motion
Author: Mcford, A. W., 6 Dec 2022Supervisor: Fey, N. (Supervisor) & Collins, B. (Supervisor)
Student thesis: Doctoral Thesis › Doctor of Philosophy (PhD)
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Using Gaussian process emulation to quantify the global methane budget
Author: Stell, A. C., 29 Sep 2020Supervisor: O'Doherty, S. (Supervisor) & Rigby, M. L. (Supervisor)
Student thesis: Doctoral Thesis › Doctor of Philosophy (PhD)
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Visualisation and tooling for interactive molecular dynamics in virtual reality
Author: Jamieson-Binnie, A. D., 24 Jan 2023Supervisor: Glowacki, D. R. (Supervisor), Butts, C. P. (Supervisor) & Mulholland, A. J. (Supervisor)
Student thesis: Doctoral Thesis › Doctor of Philosophy (PhD)
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