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Turpin, Eleanor R. and Mulholland, Sam and Teale, Andrew M. and 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

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

Suess, Christian J. and 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 (In Press)

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