Dr Elisa Fadda

Chemistry, Hamilton Institute, Human Health Institute
Senior Lecturer
Associate Professor
(01) 708 4616
Biography
Research Interests
Post Doctoral Fellows/Research Team
Researcher Name | Project | Role | Funding Body | |
---|---|---|---|---|
Aoife Martha Harbison | Sequence-to-structure relationships in glycans and glycosylated proteins | Postgraduate student | ||
Matthew Gordon Nixon | Molecular Recognition of Intrinsically Disordered Motifs | Postgraduate student |
Peer Reviewed Journals
Year | Publication | |
---|---|---|
2020 | 'An atomistic perspective on ADCC quenching by core-fucosylation of IgG1 Fc N-glycans from enhanced sampling molecular dynamics'
Harbison A;Fadda E; (2020) 'An atomistic perspective on ADCC quenching by core-fucosylation of IgG1 Fc N-glycans from enhanced sampling molecular dynamics'. Glycobiology, 30 [DOI] [Details] |
|
2019 | 'Sequence-to-structure dependence of isolated IgG Fc complex biantennary N-glycans: a molecular dynamics study'
Harbison AM;Brosnan LP;Fenlon K;Fadda E; (2019) 'Sequence-to-structure dependence of isolated IgG Fc complex biantennary N-glycans: a molecular dynamics study'. Glycobiology, 29 (1) [DOI] [full-text] [Details] |
|
2017 | 'The transient manifold structure of the p53 extreme C-terminal domain: Insight into disorder, recognition, and binding promiscuity by molecular dynamics simulations'
Fadda E.;Nixon M. (2017) 'The transient manifold structure of the p53 extreme C-terminal domain: Insight into disorder, recognition, and binding promiscuity by molecular dynamics simulations'. Physical Chemistry Chemical Physics, 19 (32):21287-21296 [DOI] [full-text] [Details] |
|
2017 | 'Aminoquinoline Fluorescent Labels Obstruct Efficient Removal of N-Glycan Core α(1-6) Fucose by Bovine Kidney α- L -Fucosidase (BKF)'
O'Flaherty R.;Harbison A.;Hanley P.;Taron C.;Fadda E.;Rudd P. (2017) 'Aminoquinoline Fluorescent Labels Obstruct Efficient Removal of N-Glycan Core α(1-6) Fucose by Bovine Kidney α- L -Fucosidase (BKF)'. Journal of Proteome Research, 16 (11):4237-4243 [DOI] [full-text] [Details] |
|
2016 | 'Synthesis and characterisation of new copper(II) coordination polymers constructed from pyrazine–tetrazole ligands with the formation of a water cluster'
Sheridan U.;Gallagher J.;Fadda E.;Bjerrum M.;McGinley J. (2016) 'Synthesis and characterisation of new copper(II) coordination polymers constructed from pyrazine–tetrazole ligands with the formation of a water cluster'. Supramolecular Chemistry, 28 (7-8):707-719 [DOI] [full-text] [Details] |
|
2016 | 'Role of the XPA protein in the NER pathway: A perspective on the function of structural disorder in macromolecular assembly'
Fadda E. (2016) 'Role of the XPA protein in the NER pathway: A perspective on the function of structural disorder in macromolecular assembly'. Computational and Structural Biotechnology Journal, 14 :78-85 [DOI] [full-text] [Details] |
|
2015 | 'A chromatin-independent role of Polycomb-like 1 to stabilize p53 and promote cellular quiescence'
Brien, GL;Healy, E;Jerman, E;Conway, E;Fadda, E;O'Donovan, D;Krivtsov, AV;Rice, AM;Kearney, CJ;Flaus, A;McDade, SS;Martin, SJ;McLysaght, A;O'Connell, DJ;Armstrong, SA;Bracken, AP (2015) 'A chromatin-independent role of Polycomb-like 1 to stabilize p53 and promote cellular quiescence'. Genes and Development, 29 :2231-2243 [DOI] [full-text] [Details] |
|
2015 | 'The role of conformational selection in the molecular recognition of the wild type and mutants XPA(67-80) peptides by ERCC1'
Fadda, E (2015) 'The role of conformational selection in the molecular recognition of the wild type and mutants XPA(67-80) peptides by ERCC1'. Proteins: Structure, Function and Genetics, 83 :1341-1351 [DOI] [full-text] [Details] |
|
2015 | 'Lower rim isoxazole-calix[4]arene derivatives as fluorescence sensors for copper(II) ions'
Maher, NJ;Diao, HW;O'Sullivan, J;Fadda, E;Heaney, F;McGinley, J (2015) 'Lower rim isoxazole-calix[4]arene derivatives as fluorescence sensors for copper(II) ions'. Tetrahedron, 71 :9223-9233 [DOI] [full-text] [Details] |
|
2013 | 'Contribution of the empirical dispersion correction on the conformation of short alanine peptides obtained by gas-phase QM calculations'
Fadda E;Woods RJ; (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) [DOI] [full-text] [Details] |
|
2013 | 'The Influence of N-Linked Glycans on the Molecular Dynamics of the HIV-1 gp120 V3 Loop'
Wood, NT;Fadda, E;Davis, R;Grant, OC;Martin, JC;Woods, RJ;Travers, SA (2013) 'The Influence of N-Linked Glycans on the Molecular Dynamics of the HIV-1 gp120 V3 Loop'. PLoS ONE, 8 [DOI] [full-text] [Details] |
|
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'
Fadda E;Woods RJ; (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) [DOI] [full-text] [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 [DOI] [full-text] [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 [DOI] [full-text] [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 [DOI] [full-text] [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 [DOI] [full-text] [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 [DOI] [full-text] [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 [DOI] [full-text] [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 [DOI] [full-text] [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 [DOI] [full-text] [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 [DOI] [full-text] [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'. Journal of Chemical Physics, 118 [DOI] [full-text] [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 [DOI] [full-text] [Details] |
Book Chapters
Year | Publication | |
---|---|---|
2019 | 'Binding Free Energies of Conformationally Disordered Peptides Through Extensive Sampling and End-Point Methods'
Nixon M.;Fadda E. (2019) 'Binding Free Energies of Conformationally Disordered Peptides Through Extensive Sampling and End-Point Methods' In: Methods in molecular biology. New Jersey: Clifton, N.J. [DOI] [Details] |
|
2015 | 'Calculating binding free energies for protein-carbohydrate complexes'
Hadden JA;Tessier MB;Fadda E;Woods RJ; (2015) 'Calculating binding free energies for protein-carbohydrate complexes' In: Methods in molecular biology. New Jersey: Clifton, N.J. [DOI] [Details] |
Conference Publications
Year | Publication | |
---|---|---|
2003 | Time-dependent density functional theory as a foundation for a firmer understanding of sum-over-states density functional perturbation theory: Loc.3 approximation
Fadda E.;Casida M.;Salahub D. (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 , pp.67-83 [DOI] [Details] |
Reviews
Year | Publication | |
---|---|---|
2010 | Molecular simulations of carbohydrates and protein-carbohydrate interactions: Motivation, issues and prospects.
Fadda E.;Woods R. (2010) Molecular simulations of carbohydrates and protein-carbohydrate interactions: Motivation, issues and prospects. Reviews [DOI] [Details] |
Honours and Awards
Year | Title | Awarding Body | |
---|---|---|---|
2013 | International Relations Committee Travel Award | Biophysical Society | |
2016 | Young Innovator Award | Canadian Society for Chemistry |
Professional Associations
Association | Function | From / To | |
---|---|---|---|
Society for Glycobiology | Responsible for the SFG Social Media Presence in Europe | 25-NOV-19 / |
Employment
Employer | Position | From / To | |
---|---|---|---|
Maynooth University | Assistant Lecturer | 01-AUG-13 / 31-MAY-14 | |
National University of Ireland, Galway | Research Fellow | 15-MAY-08 / 31-MAY-13 | |
The Hospital for Sick Children | Postdoctoral Fellow | 01-APR-04 / 30-APR-08 | |
Maynooth University | Lecturer (Assistant Professor) | 01-SEP-14 / |
Education
Year | Institution | Qualification | Subject | |
---|---|---|---|---|
2013 | Centre for Learning and Teaching (CELT) | Postgraduate Certificate | ||
2004 | Department of Chemistry | PhD |
Languages
Language | Reading | Writing | Speaking | |
---|---|---|---|---|
Italian | Fluent | Fluent | Fluent | |
English | Fluent | Fluent | Fluent | |
French | Fluent | Fluent | Fluent |
Outreach Activities
Description | |
---|---|
Cell EXPLORERS is a science education and outreach programme based in the School of Natural Sciences in the National University of Ireland, Galway, with the aim to promote hands-on discovery of molecular and cellular biology in primary schools. Link |
|
Based in NUI Galway and supported by the Science Foundation Ireland Discover programme, the Community Knowledge Initiative, the CÚRAM Centre for Research in Medical Devices and the Cell EXPLORERS programme, ReelLIFE SCIENCE challenges Irish schools and community groups to communicate science and technology via engaging and educational short videos. I contribute to the project as a judge for the yearly ReelLife Science competition Link |