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Article

Oglic, Dino and Oatley, Steven A. and Macdonald, Simon J.F. and McInally, Thomas and Garnett, Roman and 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. and Li, Zhou and 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. 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

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. 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

This list was generated on Thu Sep 20 07:59:45 2018 UTC.