Recent Publications

Griffiths, R.C.; Smith, F.R.; Li, D.; Wyatt, J.; Rogers, D.M.; Long, J.E.; Cusin, L.M.L.; Tighe, P.J.; Layfield, R.; Hirst, J.D.. & Mitchell, N.J. , Cysteine-Selective Modification of Peptides and Proteins via Desulfurative C-C Bond Formation. Chem. Eur. J., tba, e202202503 (2023).
DOI: http://dx.doi.org/10.1002/chem.202202503

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Rogers, D.M.; Do, H. & Hirst, J.D., Electronic Circular Dichroism of Proteins Computed Using a Diabatisation Scheme. Mol. Phys., 121, e2133748 (2023).
DOI: http://dx.doi.org/10.1080/00268976.2022.2133748

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Silva, A.F.; Guest, E.E.; Falcone, B.N.; Pickett, S.D.; Rogers, D.M.; Hirst, J.D., Free energy perturbation calculations of tetrahydroquinolines complexed to the first bromodomain of BRD4. Mol. Phys., 121, e2124201 (2023).
DOI: http://dx.doi.org/10.1080/00268976.2022.2124201

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Davies, J.; Pattison, D. & Hirst, J.D., Machine learning for yield prediction for chemical reactions using in situ sensors. J. Mol. Graph. Mod., 118, 108356 (2023).
DOI: http://dx.doi.org/10.1016/j.jmgm.2022.108356

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