Recent Publications

Rogers, D.M, Jasim, S.B, Dyer, N.T, Auvray, F, Rèfrègier, M, Hirst, J.D., Electronic circular dichroism of proteins. Chem, 5, 2751–2774 (2019).
DOI: http://dx.doi.org/10.1016/j.chempr.2019.07.008
Auvray, F, Dennetiere D, Giulianib A, Jamme F, Wien F, Polack F, Menneglier C, Lagarde B, Hirst JD, Réfrégiers M., Time resolved transient circular dichroism spectroscopy based on synchrotron natural polarization. Stuct Dynamics, 6, 054307 (2019).
DOI: http://dx.doi.org/10.1063/1.5120346
Michaelis M, Hildebrand N, Meißner RH, Wurzler N, Li Z, Hirst JD, Micsonai A, Kardos J, Delle Piane M & Colombi Ciacchi L., Impact of the conformational variability of oligopeptides on the computational prediction of their CD spectra. J Phys Chem B, 123, 6694–6704 (2019).
DOI: http://dx.doi.org/10.1021/acs.jpcb.9b03932
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
Oglic, D., Oatley, S.A., Macdonald, S.J.F., McInally, T., Garnett, R., Hirst, J.D. & Gärtner, T., Active search for computer-aided drug design. Mol. Inf., 37, 1700130 (2018).
DOI: http://dx.doi.org/10.1002/minf.201700130
Shaw, D.J., Hill, R.E., Simpson, N., Husseini, F.S., Robb, K., Greetham, G.M., Towrie, M., Parker, A.W., Robinson, D., Hirst, J.D., Hoskisson, P.A. & Hunt, N.T., Examining the role of protein structural dynamics in drug resistance in Mycobacterium tuberculosis. Chem. Sci., 8, 8384–8399 (2017).
DOI: http://dx.doi.org/10.1039/c7sc03336b