Darren Wragg
Affiliations: | 2016-2019 | School of Chemistry | Cardiff University, Cardiff, Wales, United Kingdom |
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Publications
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Kaußler C, Wragg D, Schmidt C, et al. (2022) "Dynamical Docking" of Cyclic Dinuclear Au(I) Bis-N-heterocyclic Complexes Facilitates Their Binding to G-Quadruplexes. Inorganic Chemistry |
Pimpão C, Wragg D, Bonsignore R, et al. (2021) Mechanisms of irreversible aquaporin-10 inhibition by organogold compounds studied by combined biophysical methods and atomistic simulations. Metallomics : Integrated Biometal Science |
Wragg D, Leoni S, Casini A. (2020) Aquaporin-driven hydrogen peroxide transport: a case of molecular mimicry? Rsc Chemical Biology. 1: 390-394 |
Wragg D, de Almeida A, Casini A, et al. (2019) Unveiling the mechanisms of aquaglyceroporin-3 water and glycerol permeation by metadynamics. Chemistry (Weinheim An Der Bergstrasse, Germany) |
Mósca AF, de Almeida A, Wragg D, et al. (2018) Molecular Basis of Aquaporin-7 Permeability Regulation by pH. Cells. 7 |
Wragg D, de Almeida A, Bonsignore R, et al. (2018) On the mechanism of gold NHC compounds binding to DNA G- quadruplexes elucidated by combined metadynamics and biophysical methods. Angewandte Chemie (International Ed. in English) |
de Almeida A, Mósca AF, Wragg D, et al. (2017) The mechanism of aquaporin inhibition by gold compounds elucidated by biophysical and computational methods. Chemical Communications (Cambridge, England) |