Publications co-authored with Ellen Guest

5. Guest, E.E., Cervantes Vasquez, L.F., Pickett, S.D., Brooks, C.L., Hirst, J.D., Alchemical free energy methods applied to complexes of the first bromodomain of BRD4. J. Chem. Inf. Mod., 62, 1458–1470 (2022).
DOI: http://dx.doi.org/10.1021/acs.jcim.1c01229

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4. Guest, E.E.; Pickett, S.D.; Hirst, J.D., Structural variation of protein-ligand complexes of the first bromodomain of BRD4. Org. Bio. Chem., 19, 5632–5641 (2021).
DOI: http://dx.doi.org/10.1039/D1OB00658D

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3. Segatta, F., Rogers, D.M., Dyer, N.T., Guest, E.E., Li, Z., Do, H., Nenov, A., Garavelli, M., Hirst, J.D., Near-ultraviolet circular dichroism and two-dimensional spectroscopy of polypeptides. Molecules, 26, 396 (2021).
DOI: http://dx.doi.org/10.3390/molecules26020396

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2. Guest, E.E., Oatley, S.A., Macdonald, S.J.M., Hirst, J.D., Molecular simulation of aVb6 integrin inhibitors. J. Chem. Inf. Mod., 60, 5487–5498 (2020).
DOI: http://dx.doi.org/10.1021/acs.jcim.0c00254

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1. Jasim, S.B., Li, Z., Guest, E.E. & Hirst, J.D., DichroCalc: improvements in computing protein circular dichroism spectroscopy in the near-ultraviolet. J. Mol. Biol., 430, 2196–2202 (2018).
DOI: http://dx.doi.org/10.1016/j.jmb.2017.12.009