Search Results - "molecular modeling"

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  1. 1
    A computational approach for exploring carbohydrate recognition by lectins in innate immunity

    A computational approach for exploring carbohydrate recognition by lectins in innate immunity by Agostino, Mark, Yuriev, E., Ramsland, P.

    Published 2011
    Subjects: “…molecular modeling…”
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  2. 2
    The significance of 2-furyl ring substitution with a 2-(para-substituted) aryl group in a new series of pyrazolo-triazolo-pyrimidines as potent and highly selective hA3 adenosine receptors antagonists: new insights into structure-affinity relationship and receptor-antagonist recognition

    The significance of 2-furyl ring substitution with a 2-(para-substituted) aryl group in a new series of pyrazolo-triazolo-pyrimidines as potent and highly selective hA3 adenosine r... by Cheong, S., Dolzhenko, A., Kachler, S., Paoletta, S., Federico, S., Cacciari, B., Dolzhenko, Anton, Klotz, K., Moro, S., Spalluto, G., Pastorin, G.

    Published 2010
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  3. 3
    Carbohydrate-mimetic peptides: structural aspects of mimicry and therapeutic implications

    Carbohydrate-mimetic peptides: structural aspects of mimicry and therapeutic implications by Agostino, Mark, Sandrin, M., Thompson, P., Farrugia, W., Ramsland, P., Yuriev, E.

    Published 2011
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  4. 4
    4-Hydroxy-trans-2-nonenal (4-HNE) induces neuronal SH-SY5Y cell death via hampering ATP binding at kinase domain of Akt1

    4-Hydroxy-trans-2-nonenal (4-HNE) induces neuronal SH-SY5Y cell death via hampering ATP binding at kinase domain of Akt1 by Kashyap, M., Singh, A., Yadav, D., Siddiqui, M., Srivastava, R., Chaturvedi, Vishal, Rai, N.

    Published 2015
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  5. 5
    Experimental and Computational Studies of Incorporation of Cyano Transition Metal Complexes in Potassium Chloride Crystals

    Experimental and Computational Studies of Incorporation of Cyano Transition Metal Complexes in Potassium Chloride Crystals by Carter, Damien, Ogden, Mark, Rohl, Andrew

    Published 2003
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  6. 6
    Empirical molecular modelling of crystal growth modifiers

    Empirical molecular modelling of crystal growth modifiers by Jones, Franca, Rohl, Andrew

    Published 2005
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  7. 7
    Interatomic Potentials for Simulating MnO2 Polymorphs

    Interatomic Potentials for Simulating MnO2 Polymorphs by Fleming, Sean, Rohl, Andrew, Morton, Jonathon, Ward, C.

    Published 2005
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  8. 8
    Molecular modelling of the interactions of complex carbohydrates with proteins

    Molecular modelling of the interactions of complex carbohydrates with proteins by Gandhi, Neha Sureshchandra

    Published 2011
    Subjects: “…Molecular modelling…”
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  9. 9
    Computational and experimental studies of novel β-adrenoceptor ligands

    Computational and experimental studies of novel β-adrenoceptor ligands by Louison, Keverne

    Published 2022
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  10. 10
    The integration of computational chemistry algorithms into a multimedia environment

    The integration of computational chemistry algorithms into a multimedia environment by Hyde, Richard T.

    Published 1996
    Subjects: “…three-dimensional molecular modelling…”
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  11. 11
    The interaction of EDTA with barium sulfate

    The interaction of EDTA with barium sulfate by Jones, Franca, Jones, Philip, Ogden, Mark, Richmond, William, Rohl, Andrew, Saunders, M.

    Published 2007
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  12. 12
    Fluorescent cannabinoids: Stratagies towards the synthesis of fluorescently labelled CB2 receptor ligands

    Fluorescent cannabinoids: Stratagies towards the synthesis of fluorescently labelled CB2 receptor ligands by Yates, Andrew Stephen

    Published 2005
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  13. 13
    Atomistic modelling of scattering data in the Collaborative Computational Project for Small Angle Scattering (CCP-SAS)

    Atomistic modelling of scattering data in the Collaborative Computational Project for Small Angle Scattering (CCP-SAS) by Perkins, Stephen J., Wright, David W., Zhang, Hailiang, Brookes, Emre H., Chen, Jianhan, Irving, Thomas C., Krueger, Susan, Barlow, David J., Edler, Karen J., Scott, David J., Terrill, Nicholas J., King, Stephen M., Butler, Paul D., Curtis, Joseph E.

    Published 2016
    Subjects: “…molecular dynamics (MD); molecular modelling; scattering curve fits; small-angle-neutron scattering (SANS); small-angle-X-ray scattering (SAXS)…”
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