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 chemistry
Website:
http://www.nottingham.ac.uk/chemistry/people/jonathan.hirst
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"Jonathan Hirst"
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Parents

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Michael Sternberg grad student 1990-1993 University of London (Computational Biology Tree)

Children

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Clare-Louise (Evans) Towse grad student 2005-2010 chemistry
David Robinson post-doc 2007-2010
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Publications

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Segatta F, Rogers DM, Dyer NT, et al. (2021) Near-Ultraviolet Circular Dichroism and Two-Dimensional Spectroscopy of Polypeptides. Molecules (Basel, Switzerland). 26
Li Z, Hirst JD. (2020) Computed optical spectra of SARS-CoV-2 proteins. Chemical Physics Letters. 758: 137935
Hildebrand N, Michaelis M, Wurzler N, et al. (2018) Atomistic Details of Chymotrypsin Conformational Changes upon Adsorption on Silica. Acs Biomaterials Science & Engineering. 4: 4036-4050
Shaw DJ, Hill RE, Simpson N, et al. (2017) Examining the role of protein structural dynamics in drug resistance in. Chemical Science. 8: 8384-8399
Jasim SB, Li Z, Guest EE, et al. (2017) DichroCalc: Improvements in computing protein circular dichroism spectroscopy in the near-ultraviolet. Journal of Molecular Biology
Li Z, Hirst JD. (2017) Quantitative first principles calculations of protein circular dichroism in the near-ultraviolet. Chemical Science. 8: 4318-4333
Suess CJ, Hirst JD, Besley NA. (2017) Quantum chemical calculations of tryptophan → heme electron and excitation energy transfer rates in myoglobin. Journal of Computational Chemistry
Husseini FS, Robinson D, Hunt NT, et al. (2016) Computing infrared spectra of proteins using the exciton model. Journal of Computational Chemistry
Hanson-Heine MW, Husseini FS, Hirst JD, et al. (2016) Simulation of the Two-Dimensional Infrared Spectroscopy of Peptides Using Localized Normal Modes. Journal of Chemical Theory and Computation
Mulholland S, Turpin ER, Bonev BB, et al. (2016) Docking and molecular dynamics simulations of the ternary complex nisin2:lipid II. Scientific Reports. 6: 21185
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