Jonathan D. Hirst, Ph.D
Affiliations: | 1993-1994 | Carnegie Mellon University, Pittsburgh, PA | |
| 1994-1996 | Scripps Research Institute, La Jolla, La Jolla, CA, United States | ||
| 1999- | Chemistry | University of Nottingham, Nottingham, England, United Kingdom |
Area:
Computational chemistryWebsite:
http://www.nottingham.ac.uk/chemistry/people/jonathan.hirstGoogle:
"Jonathan Hirst"Mean distance: 10.48
Parents
Sign in to add mentor| Michael Sternberg | grad student | 1990-1993 | University of London (Computational Biology Tree) |
Children
Sign in to add trainee| Clare-Louise (Evans) Towse | grad student | 2005-2010 | chemistry |
| David Robinson | post-doc | 2007-2010 | |
| Shayantan Chaudhuri | post-doc | 2023-2024 | Nottingham |
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Publications
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| Robinson D, Alarfaji SS, Hirst JD. (2021) Benzene, Toluene, and Monosubstituted Derivatives: Diabatic Nature of the Oscillator Strengths of S ← S Transitions. The Journal of Physical Chemistry. A |
| Li Z, Hirst JD. (2020) Computed optical spectra of SARS-CoV-2 proteins. Chemical Physics Letters. 758: 137935 |
| Jiang L, Rogers DM, Hirst JD, et al. (2020) Force Fields for Macromolecular Assemblies Containing Diketopyrrolopyrrole and Thiophene. Journal of Chemical Theory and Computation |
| Baiz CR, Błasiak B, Bredenbeck J, et al. (2020) Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction. Chemical Reviews |
| Auvray F, Hirst JD. (2020) Unfolding Dynamics of a Photoswitchable Helical Peptide. The Journal of Physical Chemistry. B. 124: 5380-5392 |
| Guest EE, Oatley SA, Macdonald SJF, et al. (2020) Molecular Simulation of αVβ6 Integrin Inhibitors. Journal of Chemical Information and Modeling |
| Auvray F, Dennetiere D, Giuliani A, et al. (2019) Time resolved transient circular dichroism spectroscopy using synchrotron natural polarization. Structural Dynamics (Melville, N.Y.). 6: 054307 |
| Michaelis M, Hildebrand N, Meissner RH, et al. (2019) Impact of the Conformational Variability of Oligopeptides on the Computational Prediction of their CD Spectra. The Journal of Physical Chemistry. B |
| Rogers DM, Jasim SB, Dyer NT, et al. (2019) Electronic Circular Dichroism Spectroscopy of Proteins Chem. 5: 2751-2774 |
| Oglic D, Oatley SA, Macdonald SJF, et al. (2018) Active Search for Computer-Aided Drug Design. Molecular Informatics |