Search Results - Hirst, Jonathan D.

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  1. 1
    Quantitative first principles calculations of protein circular dichroism in the near-ultraviolet

    Quantitative first principles calculations of protein circular dichroism in the near-ultraviolet by Li, Zhuo, Hirst, Jonathan D.

    Published 2017
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  2. 2
    Quantum chemical calculations of tryptophan→heme electron and excitation energy transfer rates in myoglobin

    Quantum chemical calculations of tryptophan→heme electron and excitation energy transfer rates in myoglobin by Suess, Christian J., Hirst, Jonathan D., Besley, Nicholas A.

    Published 2017
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  3. 3
    Force fields for macromolecular assemblies containing Diketopyrrolopyrrole and Thiophene

    Force fields for macromolecular assemblies containing Diketopyrrolopyrrole and Thiophene by Jiang, Ling, Rogers, David M., Hirst, Jonathan D., Do, Hainam

    Published 2020
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  4. 4
    DichroCalc: improvements in computing protein circular dichroism spectroscopy in the near-ultraviolet

    DichroCalc: improvements in computing protein circular dichroism spectroscopy in the near-ultraviolet by Jasim, Sarah B., Li, Zhou, Guest, Ellen E., Hirst, Jonathan D.

    Published 2017
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  5. 5
    New CHARMM force field parameters for dehydrated amino acid residues, the key to lantibiotic molecular dynamics simulations

    New CHARMM force field parameters for dehydrated amino acid residues, the key to lantibiotic molecular dynamics simulations by Turpin, Eleanor R., Mulholland, Sam, Teale, Andrew M., Bonev, Boyan B., Hirst, Jonathan D.

    Published 2014
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  6. 6
    Active search for computer-aided drug design

    Active search for computer-aided drug design by Oglic, Dino, Oatley, Steven A., Macdonald, Simon J.F., McInally, Thomas, Garnett, Roman, Hirst, Jonathan D., Gärtner, Thomas

    Published 2018
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  7. 7
    Near-ultraviolet circular dichroism and two-dimensional spectroscopy of polypeptides

    Near-ultraviolet circular dichroism and two-dimensional spectroscopy of polypeptides by Segatta, Francesco, Rogers, David M., Dyer, Naomi T., Guest, Ellen E., Li, Zhuo, Do, Hainam, Nenov, Artur, Garavelli, Marco, Hirst, Jonathan D.

    Published 2021
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