Search Results - Hirst, J.D.

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  1. 1
    Exploring protein structural dissimilarity to facilitate structure classification

    Exploring protein structural dissimilarity to facilitate structure classification by Jain, Pooja, Hirst, J.D.

    Published 2009
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  2. 2
    Predicting β-turns and their types using predicted backbone dihedral angles and secondary structures

    Predicting β-turns and their types using predicted backbone dihedral angles and secondary structures by Kountouris, Peter, Hirst, J.D.

    Published 2010
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  3. 3
    Accelerating electrostatic pair methods on graphical processing units to study molecules in supercritical carbon dioxide

    Accelerating electrostatic pair methods on graphical processing units to study molecules in supercritical carbon dioxide by Baker, J.A., Hirst, J.D.

    Published 2014
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  4. 4
    Molecular dynamics simulations using graphics processing units

    Molecular dynamics simulations using graphics processing units by Baker, J.A., Hirst, J.D.

    Published 2011
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  5. 5
    Molecular simulations and visualization: introduction and overview

    Molecular simulations and visualization: introduction and overview by Hirst, J.D., Glowacki, D.R., Baaden, M.

    Published 2014
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  6. 6
    Molecular dynamics simulations and in silico peptide ligand screening of the Elk-1 ETS domain

    Molecular dynamics simulations and in silico peptide ligand screening of the Elk-1 ETS domain by Hussain, A., Shaw, P.E., Hirst, J.D.

    Published 2011
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  7. 7
    First principles predictions of thermophysical properties of refrigerant mixtures

    First principles predictions of thermophysical properties of refrigerant mixtures by Oakley, Mark T., Hainam, Do, Hirst, J.D., Wheatley, Richard J.

    Published 2011
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  8. 8
    Docking and molecular dynamics simulations of the ternary complex nisin2:lipid II

    Docking and molecular dynamics simulations of the ternary complex nisin2:lipid II by Mulholland, Sam, Turpin, Eleanor R., Bonev, Boyan B., Hirst, J.D.

    Published 2016
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  9. 9
    Computing infrared spectra of proteins using the exciton model

    Computing infrared spectra of proteins using the exciton model by Husseini, Fouad S., Robinson, David, Hunt, Neil T., Parker, Anthony W., Hirst, J.D.

    Published 2016
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  10. 10
    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, S., Teale, A.M., Bonev, B.B., Hirst, J.D.

    Published 2014
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  11. 11
    Simulation of the two-dimensional infrared spectroscopy of peptides using localized normal modes

    Simulation of the two-dimensional infrared spectroscopy of peptides using localized normal modes by Hanson-Heine, Magnus W.D., Husseini, Fouad S., Hirst, J.D., Besley, Nicholas A.

    Published 2016
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  12. 12
    A theoretical study of the activity in Rh-catalyzed hydroformylation: the origin of the enhanced activity of the π-acceptor phosphinine ligand

    A theoretical study of the activity in Rh-catalyzed hydroformylation: the origin of the enhanced activity of the π-acceptor phosphinine ligand by Aguado-Ullate, Sonia, Baker, J.A., González-González, Vanessa, Müller, Christian, Hirst, J.D., Carbó, Jorge J.

    Published 2014
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  13. 13
    Probing polyoxometalate-protein interactions using molecular dynamics simulations

    Probing polyoxometalate-protein interactions using molecular dynamics simulations by Solé-Daura, Albert, Goovaerts, Vincent, Stroobants, Karen, Absillis, Gregory, Jiménez-Lozano, Pablo, Poblet, Josep M., Hirst, J.D., Parac-Vogt, Tatjana, Carbó, Jorge J.

    Published 2016
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