Dr Elisa Fadda

Chemistry, Hamilton Institute

Lecturer

(+353-1) 7084616

Biography

2013-present Lecturer, Department of Chemistry, Maynooth University 2012-2013: Honorary Research Lecturer, School of Chemistry, National University of Ireland, Galway 2008-2013: Senior Research Associate (Prof. R.J. Woods lab), School of Chemistry, National University of Ireland, Galway 2004-2008: Postdoctoral Fellow (Dr. R. Pomès lab), Molecular Structure and Function, The Hospital for Sick Children and Department of Biochemistry, University of Toronto 2004: Ph.D. in Computational Chemistry (Prof. D.R. Salahub lab), Department of Chemistry, Université de Montréal 1999: BSc and MSc in Chemistry, Universitá degli Studi di Cagliari

Peer Reviewed Journals

  Year Publication
2015 'The role of conformational selection in the molecular recognition of the wild type and mutants XPA67-80 peptides by ERCC1'
Elisa Fadda (2015) 'The role of conformational selection in the molecular recognition of the wild type and mutants XPA67-80 peptides by ERCC1'. Proteins: Structure, Function and Genetics, DOI: 10.1002/prot.24825 [Details]
2014 'Presentation, Presentation, Presentation! Molecular Level Insight into Linker Effects on Glycan Array Screening Data'
O.C. Grant, H.M. Smith, D. Firsova, E. Fadda, and R.J. Woods (2014) 'Presentation, Presentation, Presentation! Molecular Level Insight into Linker Effects on Glycan Array Screening Data'. GLYCOBIOLOGY, 24 :17-25 [IR Link] [Details]
2014 'Defining the Structural Origin of the Substrate Sequence Independence of O-GlcNAcase Using a Combination of Molecular Docking and Dynamics Simulation'
Joanne C Martin, Elisa Fadda, Keigo Ito, Robert J Woods (2014) 'Defining the Structural Origin of the Substrate Sequence Independence of O-GlcNAcase Using a Combination of Molecular Docking and Dynamics Simulation'. GLYCOBIOLOGY, 24 :85-96 [IR Link] [Details]
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'
Elisa Fadda (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 :2503-2511 [IR Link] [Details]
2013 'Contribution of the empirical dispersion correction on the conformation of short alanine peptides obtained by gas-phase QM calculations'
E. Fadda and RJ Woods (2013) 'Contribution of the empirical dispersion correction on the conformation of short alanine peptides obtained by gas-phase QM calculations'. CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMI, 91 :859-865 [Details]
2013 'The Influence of N-Linked Glycans on the Molecular Dynamics of the HIV-1 gp120 V3 Loop'
N.T. Wood, E. Fadda, R. Davis, O.C. Grant, J.C Martin, R.J. Woods, and S.A. Travers (2013) 'The Influence of N-Linked Glycans on the Molecular Dynamics of the HIV-1 gp120 V3 Loop'. PLoS ONE, 8 [IR Link] [Details]
2011 'Molecular basis of proton uptake in single and double mutants of cytochrome c oxidase'
R. Henry, D. Caplan, E. Fadda and R. Pomes (2011) 'Molecular basis of proton uptake in single and double mutants of cytochrome c oxidase'. Journal of Physics Condensed Matter, 21 [Details]
2011 'Structure and binding of polyporus squamosus lectin in complex with Neu5Ac(alpha)2-6Gal(beta)1-4GlcNAc human-type influenza receptor'
R. Kadirvelraj, O.C. Grant, I.J. Goldstein, H.C. Winter, H. Tateno, E. Fadda, R.J. Woods (2011) 'Structure and binding of polyporus squamosus lectin in complex with Neu5Ac(alpha)2-6Gal(beta)1-4GlcNAc human-type influenza receptor'. Glycobiology, 21 [Details]
2011 'On the role of water models in quantifying the standard binding free energy of highly conserved water molecules in proteins: the case of Concanavalin A'
E. Fadda and RJ Woods (2011) 'On the role of water models in quantifying the standard binding free energy of highly conserved water molecules in proteins: the case of Concanavalin A'. J. Chem. Theory Comput., 7 :3391-3398 [Details]
2010 'Molecular simulations of carbohydrates and protein-carbohydrates interactions: motivations, issues and prospects'
E. Fadda and R.J. Woods (2010) 'Molecular simulations of carbohydrates and protein-carbohydrates interactions: motivations, issues and prospects'. Drug Discovery Today, 15 [Details]
2010 'On the Molecular Basis of Uracil Recognition in DNA: Comparative study of T:A vs. U:A Structure, Dynamics and Open Base Pair Kinetics'
E. Fadda and R. Pomes (2010) 'On the Molecular Basis of Uracil Recognition in DNA: Comparative study of T:A vs. U:A Structure, Dynamics and Open Base Pair Kinetics'. Nucleic Acids Research, 39 :767-780 [Details]
2008 'Electrostatic control of proton pumping in cytochrome c oxidase'
E. Fadda, C-H. Yu, R. Pomes (2008) 'Electrostatic control of proton pumping in cytochrome c oxidase'. Biochimica et Biophysica Acta - Bioenergetics, 1777 [Details]
2006 'Acidity of a Cu-bound histidine in the binuclear centre of cytochrome c oxidase'
E. Fadda, N. Chakrabarti, R. Pomes (2006) 'Acidity of a Cu-bound histidine in the binuclear centre of cytochrome c oxidase'. Journal of Physical Chemistry B, 109 [Details]
2003 'NMR shieldings from Sum-Over-States Density-Functional Theory: Further testing of the Loc.3 approximation'
E. Fadda, M.E. Casida, D.R. Salahub (2003) 'NMR shieldings from Sum-Over-States Density-Functional Theory: Further testing of the Loc.3 approximation'. 118 [Details]
2003 '14,15N NMR shielding constants from Density-Functional Theory'
E. Fadda, M.E. Casida, D.R. Salahub (2003) '14,15N NMR shielding constants from Density-Functional Theory'. Journal of Physical Chemistry A, 107 [Details]
2002 'Time-dependent density-functional theory as a foundation for a firmer understanding of sum-over-states density-functional perturbation theory: Loc.3 approximation'
E. Fadda, M.E. Casida, D.R. Salahub (2002) '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 [Details]