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Number of items: 7.

Wragg, Darren, Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 and Leoni, Stefano ORCID: https://orcid.org/0000-0003-4078-1000 2020. Harvesting free energy landscapes in biological systems. Presented at: International Conference on Bio and Nanomaterials, MSC Cruise, Mediterranean Sea, Italy, 28 Sept - 3 Oct 2019. Published in: Piotto, Stefano, Concilio, Simona, Sessa, Lucia and Rossi, Federico eds. Advances in Bionanomaterials II. Lecture Notes in Bioengineering Springer, pp. 64-77. 10.1007/978-3-030-47705-9_7

Wragg, Darren, de Almeida, Andreia ORCID: https://orcid.org/0000-0002-6889-1503, Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 and Leoni, Stefano ORCID: https://orcid.org/0000-0003-4078-1000 2019. Unveiling the mechanisms of aquaglyceroporin-3 water and glycerol permeation by metadynamics. Chemistry - A European Journal 25 (37) , pp. 8713-8718. 10.1002/chem.201902121
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Wragg, Darren 2019. Novel computational methods for biomechanistic and metallodrug discovery. PhD Thesis, Cardiff University.
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Mósca, Andreia F., De Almeida, Andreia ORCID: https://orcid.org/0000-0002-6889-1503, Wragg, Darren, Martins, Ana P., Sabir, Farzana, Leoni, Stefano ORCID: https://orcid.org/0000-0003-4078-1000, Moura, Teresa F., Prista, Catarina, Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 and Soveral, Graça 2018. Molecular basis of Aquaporin-7 permeability regulation by pH. Cells 7 (11) , 207. 10.3390/cells7110207
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Wragg, Darren, De Almeida, Andreia ORCID: https://orcid.org/0000-0002-6889-1503, Bonsignore, Riccardo ORCID: https://orcid.org/0000-0003-2699-4384, Kühn, Fritz E., Leoni, Stefano ORCID: https://orcid.org/0000-0003-4078-1000 and Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 2018. On the mechanism of Gold/NHC compounds binding to DNA G-quadruplexes: combined metadynamics and biophysical methods. Angewandte Chemie International Edition 57 (44) , pp. 14524-14528. 10.1002/anie.201805727
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Rocard, Lou, Wragg, Darren, Jobbins, Samuel A., Luciani, Lorenzo, Leoni, Stefano ORCID: https://orcid.org/0000-0003-4078-1000, Wouters, Johan and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 2018. Templated chromophore assembly on peptide scaffolds: a structural evolution. Chemistry - A European Journal , -. 10.1002/chem.201803205
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De Almeida, Andreia ORCID: https://orcid.org/0000-0002-6889-1503, Mosca, Andreia F., Wragg, Darren, Wenzel, Margot ORCID: https://orcid.org/0000-0001-6411-1816, Kavanagh, Paul, Barone, Giampaolo, Leoni, Stefano ORCID: https://orcid.org/0000-0003-4078-1000, Soveral, Graca and Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 2017. The mechanism of aquaporin inhibition by gold compounds elucidated by biophysical and computational methods. Chemical Communications 53 (27) , pp. 3830-3833. 10.1039/C7CC00318H
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