Publications co-authored with Nicholas Besley

17. Hanson-Heine, M.W.D., Husseini, F., Hirst, J.D. & Besley, N.A., Simulation of the two-dimensional infrared spectroscopy of peptides using localized normal modes. J. Chem. Theor. Comput., 12, 1905–1918 (2016).
DOI: http://dx.doi.org/10.1021/acs.jctc.5b01198
16. Robinson, D., Besley, N.A., O'Shea, P. & Hirst, J.D., Water order profiles on phospholipid / cholesterol membrane bilayer surfaces. J. Comput. Chem., 32, 2613 (2011).
DOI: http://dx.doi.org/10.1002/jcc.21840
15. Gaigeot, M.-P., Besley, N.A. & Hirst, J.D, Modelling the infrared and circular dichroism spectroscopy of linear and cyclic diamides. J. Phys. Chem. B, 115, 5562–5535 (2011).
DOI: http://dx.doi.org/10.1021/jp111140f
14. Robinson, D., Besley, N.A., O'Shea, P. & Hirst, J.D., Di-8-ANEPPS Emission Spectra in Phospholipid / Cholesterol Membranes: A Theoretical Study. J. Phys. Chem. B, 115, 4160–4167 (2011).
DOI: http://dx.doi.org/10.1021/jp1111372
13. Robinson, D., Besley, N.A., O'Shea, P. & Hirst, J.D., Calculating the fluorescence of 5-hydroxytryptophan in proteins. J. Phys. Chem. B, 113, 14521–14528 (2009).
DOI: http://dx.doi.org/10.1021/jp9071108
12. Robinson, D., Besley, N.A., Lunt, E.A.M., O'Shea, P. & Hirst, J.D., Electronic structure of 5-hydroxyindole: from gas-phase to explicit solvation. J. Phys. Chem. B, 113, 2535–2541 (2009).
DOI: http://dx.doi.org/10.1021/jp808943d
11. Rogers, D.M., Besley, N.A., O'Shea, P. & Hirst, J.D., Modeling the Absorption Spectrum of Tryptophan in Proteins. J. Phys. Chem. B, 109, 23061–23069 (2005).
DOI: http://dx.doi.org/10.1021/jp053309j
10. Besley, N.A, Oakley, M.T., Cowan, A.J. & Hirst, J.D., A Sequential Molecular Mechanics/Quantum Mechanics Study of the Electronic Spectra of Amides. J. Am. Chem. Soc., 126, 13502–13511 (2004).
DOI: http://dx.doi.org/10.1021/ja047603l

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9. Besley, N.A. & Hirst, J.D., Quantitative Protein Circular Dichroism Calculations. In: Probing and Modelling Membranes and Proteins (Proceedings of Biophysical Chemistry 2001), eds. Templer, R.H. & Leatherbarrow, R., The Royal Society of Chemistry, Cambridge, pp. 20–30 (2002).
8. Besley, N.A., Brienne, M.-J. & Hirst, J.D., Electronic Structure of a Rigid Cyclic Diamide. J. Phys. Chem. B, 104, 12371–12377 (2000).
DOI: http://dx.doi.org/10.1021/jp0024524
7. Besley, N.A. & Hirst, J.D., Hydrogen Bonding in Protein Circular Dichroism Calculations. J. Mol. Struct. (THEOCHEM), 506, 161–167 (2000).
DOI: http://dx.doi.org/10.1016/S0166-1280(00)00409-7
6. Besley, N.A. & Hirst, J.D., Electronic Structure of Amides and Circular Dichroism of Proteins. Trends in Physical Chemistry, 7, 139–144 (1999).
5. Besley, N.A. & Hirst, J.D., Applying Ab Initio Methods toward Improved Protein Circular Dichroism Calculations. Abstracts of Papers of the American Chemical Society, 217, pp 160–COMP (1999).
4. Besley, N.A. & Hirst, J.D., Theoretical Studies toward Quantitative Protein Circular Dichroism Calculations. J. Am. Chem. Soc., 121, 9636–9644 (1999).
DOI: http://dx.doi.org/10.1021/ja990627l
3. Besley, N.A. & Hirst, J.D., Ab Initio Study of the Electronic Spectrum of Formamide with Explicit Solvent. J. Am. Chem. Soc., 121, 8559–8566 (1999).
DOI: http://dx.doi.org/10.1021/ja990064d
2. Hirst, J.D. & Besley, N.A., Response to »Comment on 'Improving Protein Circular Dichroism Calculations in the Far-Ultraviolet through Reparametrizing the Amide Chromophore'«. J. Chem. Phys. [J. Chem. Phys. 109, 782-788 (1998)], 111, 2846–2847 (1999).
DOI: http://dx.doi.org/10.1063/1.479563
1. Besley, N.A. & Hirst, J.D., Ab Initio Study of the Effect of Solvation on the Electronic Spectra of Formamide and N-Methylacetamide. J. Phys. Chem. A, 102, 10791–10797 (1998).
DOI: http://dx.doi.org/10.1021/jp982645f