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    Items where Author is "Fadda, Elisa"

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    Number of items: 17.


    Maher, Niall and Diao, Haowen and O'Sullivan, Justine and Fadda, Elisa and Heaney, Frances and McGinley, John (2015) Lower rim isoxazole-calix[4]arene derivatives as fluorescence sensors for copper(II) ions. Tetrahedron, 71 (49). pp. 9223-9233. ISSN 0040-4020

    Fadda, Elisa (2015) The role of conformational selection in the molecular recognition of the wild type and mutants XPA67‐80 peptides by ERCC1. Proteins, 83. pp. 1341-1351. ISSN 1097-0134

    Martin, Joanne C. and Fadda, Elisa and Keigo, Ito and Woods, Robert J. (2014) Defining the structural origin of the substrate sequence independence of O-GlcNAcase using a combination of molecular docking and dynamics simulation. Glycobiology, 24 (1). pp. 85-96. ISSN 0959-6658

    Grant, Oliver C. and Smith, Hannah M.K. and Firsova, Daria and Fadda, Elisa and Woods, Robert J. (2014) Presentation, presentation, presentation! Molecular-level insight into linker effects on glycan array screening data. Glycobiology, 24 (1). pp. 17-25. ISSN 0959-6658

    Fadda, Elisa (2013) Conformational Determinants for the Recruitment of ERCC1 by XPA in the Nucleotide Excision Repair (NER) Pathway: Structure and Dynamics of the XPA Binding Motif. Biophysical Journal, 104 (11). pp. 2503-2511. ISSN 0006-3495

    Fadda, Elisa and Woods, Robert J. (2013) Contribution of the empirical dispersion correction on the conformation of short alanine peptides obtained by gas-phase QM calculations. Canadian Journal of Chemistry, 91 (9). pp. 859-865. ISSN 0008-4042

    Wood, Natasha T. and Fadda, Elisa and Davis, Robert and Grant, Oliver C. and Martin, Joanne C. and Woods, Robert J. and Travers, Simon A. (2013) The Influence of N-Linked Glycans on the Molecular Dynamics of the HIV-1 gp120 V3 Loop. PLoS ONE, 8 (11). e80301. ISSN 1932-6203

    Henry, Rowan M. and Caplan, David and Fadda, Elisa and Pomès, Régis (2011) Molecular basis of proton uptake in single and double mutants of cytochrome c oxidase. Journal of Physics: Condensed Matter, 23 (22). p. 234102. ISSN 0953-8984

    Fadda, Elisa and Woods, Robert J. (2011) On the Role of Water Models in Quantifying the Binding Free Energy of Highly Conserved Water Molecules in Proteins: The Case of Concanavalin A. Journal of Chemical Theory and Computation, 7 (10). pp. 3391-3398. ISSN 1549-9618

    Fadda, Elisa and Pomès, Régis (2011) On the molecular basis of uracil recognition in DNA: comparative study of T-A versus U-A structure, dynamics and open base pair kinetics. Nucleic Acids Research, 39 (2). pp. 767-780. ISSN 0305-1048

    Kadirvelraj, Renuka and Grant, Oliver C. and Goldstein, Irwin J. and Winter, Harry C. and Tateno, Hiroaki and Fadda, Elisa and Woods, Robert J. (2011) Structure and binding analysis of Polyporus squamosus lectin in complex with the Neu5Acα2-6Galβ1-4GlcNAc human-type influenza receptor. Glycobiology, 21 (7). pp. 973-984. ISSN 0959-6658

    Fadda, Elisa and Woods, Robert J. (2010) Molecular simulations of carbohydrates and protein–carbohydrate interactions: motivation, issues and prospects. Drug Discovery Today, 15 (15-16). pp. 596-609. ISSN 1359-6446

    Fadda, Elisa and Yu, hing-Hsing and Pomès, Régis (2008) Electrostatic control of proton pumping in cytochrome c oxidase. Biochimica et Biophysica Acta (BBA) - Bioenergetics, 1777 (3). pp. 277-284. ISSN 0005-2728

    Fadda, Elisa and Chakrabarti, Nilmadhab and Pomès, Régis (2005) Acidity of a Cu-Bound Histidine in the Binuclear Center of Cytochrome c Oxidase. Journal of Physical Chemistry B, 109 (47). pp. 22629-22640. ISSN 1520-6106

    Fadda, Elisa and Casida, Mark E. and Salahub, Dennis R. (2003) 14,15N NMR Shielding Constants from Density Functional Theory. Journal of Physical Chemistry A, 107 (46). pp. 9924-9930. ISSN 1089-5639

    Fadda, Elisa and Casida, Mark E. and Salahub, Dennis R. (2003) NMR shieldings from sum-over-states density-functional-perturbation theory: Further testing of the ‘‘Loc.3’’ approximation. Journal of Chemical Physics, 118 (15). pp. 6758-6768. ISSN 0021-9606

    Fadda, Elisa and Casida, Mark E. and Salahub, Dennis R. (2003) Time-Dependent Density Functional Theory as a Foundation for a Firmer Understanding of Sum-Over-States Density Functional Perturbation Theory: “Loc.3” Approximation. International Journal of Quantum Chemistry, 91 (2). pp. 67-83. ISSN 0020-7608

    This list was generated on Sun May 19 22:12:26 2019 UTC.