• Login
• Admin

Segatta, Francesco, Rogers, David M., Dyer, Naomi T., Guest, Ellen E., Li, Zhuo, Do, Hainam, Nenov, Artur, Garavelli, Marco and Hirst, Jonathan D. (2021) Near-ultraviolet circular dichroism and two-dimensional spectroscopy of polypeptides. Molecules, 26 (2). p. 396. ISSN 1420-3049

Jiang, Ling, Rogers, David M., Hirst, Jonathan D. and Do, Hainam (2020) Force fields for macromolecular assemblies containing Diketopyrrolopyrrole and Thiophene. Journal of Chemical Theory and Computation, 16 (8). pp. 5150-5162. ISSN 1549-9618

Oglic, Dino, Oatley, Steven A., Macdonald, Simon J.F., McInally, Thomas, Garnett, Roman, Hirst, Jonathan D. and Gärtner, Thomas (2018) Active search for computer-aided drug design. Molecular Informatics, 37 . p. 1700130. ISSN 1868-1743

Jasim, Sarah B., Li, Zhou, Guest, Ellen E. and Hirst, Jonathan D. (2017) DichroCalc: improvements in computing protein circular dichroism spectroscopy in the near-ultraviolet. Journal of Molecular Biology . ISSN 1089-8638

Suess, Christian J., Hirst, Jonathan D. and Besley, Nicholas A. (2017) Quantum chemical calculations of tryptophan→heme electron and excitation energy transfer rates in myoglobin. Journal of Computational Chemistry . ISSN 1096-987X

Li, Zhuo and Hirst, Jonathan D. (2017) Quantitative first principles calculations of protein circular dichroism in the near-ultraviolet. Chemical Science . ISSN 2046-2069

Turpin, Eleanor R., Mulholland, Sam, Teale, Andrew M., Bonev, Boyan B. and Hirst, Jonathan D. (2014) New CHARMM force field parameters for dehydrated amino acid residues, the key to lantibiotic molecular dynamics simulations. RSC Advances, 4 (89). pp. 48621-48631. ISSN 2046-2069