Publications co-authored with Mark Oakley

7. Oakley, M.T., Do, H., Hirst, J.D. & Wheatley, R.J., First principles predictions of thermophysical properties of refrigerant mixtures. J. Chem. Phys, 134, 114518 (2011).
DOI: http://dx.doi.org/10.1063/1.3567308
6. Oakley, M.T., Barthel, D., Bykov, Y., Garibaldi, J.M., Burke, E.K., Krasnogor, N. & Hirst, J.D., Search Strategies in Structural Bioinformatics. Curr. Prot. Peptide. Sci., 9, 260–274 (2008).
DOI: http://dx.doi.org/10.2174/138920308784534032
5. Oakley, M.T., Guichard, G. & Hirst, J.D., Calculations on the Electronic Excited States of Ureas and Oligoureas. J. Phys. Chem. B, 111, 3274–3279 (2007).
DOI: http://dx.doi.org/10.1021/jp067890a
4. Oakley, M.T. & Hirst, J.D., Charge-Transfer Transitions in Protein Circular Dichroism Calculations. J. Am. Chem. Soc., 128, 12414–12415 (2006).
DOI: http://dx.doi.org/10.1021/ja0644125

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3. Oakley, M.T., Bulheller, B.M. & Hirst, J.D., First Principles Calculations of Protein Circular Dichroism in the Far-Ultraviolet and Beyond. Chirality, 18, 340–347 (2006).
DOI: http://dx.doi.org/10.1002/chir.20264
2. Oakley, M.T., Garibaldi, J.M. & Hirst, J.D., Lattice models of peptide aggregation: Evaluation of conformational search algorithms. J. Comp. Chem., 26, 1638–1646 (2005).
DOI: http://dx.doi.org/10.1002/jcc.20306
1. 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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