Beyond shielding: the roles of glycans in the SARS-CoV-2 spike protein L Casalino, Z Gaieb, JA Goldsmith, CK Hjorth, AC Dommer, AM Harbison, ... ACS central science 6 (10), 1722-1734, 2020 | 894 | 2020 |
Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity EC Thomson, LE Rosen, JG Shepherd, R Spreafico, A da Silva Filipe, ... Cell 184 (5), 1171-1187. e20, 2021 | 589 | 2021 |
SARS-CoV-2 simulations go exascale to capture spike opening and reveal cryptic pockets across the proteome MI Zimmerman, G Bowman Biophysical Journal 120 (3), 299a, 2021 | 244 | 2021 |
Molecular simulations of carbohydrates and protein–carbohydrate interactions: motivation, issues and prospects E Fadda, RJ Woods Drug discovery today 15 (15-16), 596-609, 2010 | 216 | 2010 |
Presentation, presentation, presentation! Molecular-level insight into linker effects on glycan array screening data OC Grant, HMK Smith, D Firsova, E Fadda, RJ Woods Glycobiology 24 (1), 17-25, 2014 | 119 | 2014 |
The case for post-predictional modifications in the AlphaFold Protein Structure Database H Bagdonas, CA Fogarty, E Fadda, J Agirre Nature structural & molecular biology 28 (11), 869-870, 2021 | 76 | 2021 |
Fine-tuning the spike: role of the nature and topology of the glycan shield in the structure and dynamics of the SARS-CoV-2 S AM Harbison, CA Fogarty, TK Phung, A Satheesan, BL Schulz, E Fadda Chemical Science 13 (2), 386-395, 2022 | 68 | 2022 |
Role of the XPA protein in the NER pathway: A perspective on the function of structural disorder in macromolecular assembly E Fadda Computational and structural biotechnology journal 14, 78-85, 2016 | 63 | 2016 |
Electrostatic control of proton pumping in cytochrome c oxidase E Fadda, CH Yu, R Pomès Biochimica et Biophysica Acta (BBA)-Bioenergetics 1777 (3), 277-284, 2008 | 63 | 2008 |
Structure and binding analysis of Polyporus squamosus lectin in complex with the Neu5Acα2-6Galβ1-4GlcNAc human-type influenza receptor R Kadirvelraj, OC Grant, IJ Goldstein, HC Winter, H Tateno, E Fadda, ... Glycobiology 21 (7), 973-984, 2011 | 61 | 2011 |
Glycosaminoglycans: what remains to be deciphered? S Perez, O Makshakova, J Angulo, E Bedini, A Bisio, JL de Paz, E Fadda, ... Jacs Au 3 (3), 628-656, 2023 | 54 | 2023 |
Sequence-to-structure dependence of isolated IgG Fc complex biantennary N-glycans: a molecular dynamics study AM Harbison, LP Brosnan, K Fenlon, E Fadda Glycobiology 29 (1), 94-103, 2019 | 49 | 2019 |
The influence of N-linked glycans on the molecular dynamics of the HIV-1 gp120 V3 loop NT Wood, E Fadda, R Davis, OC Grant, JC Martin, RJ Woods, SA Travers PloS one 8 (11), e80301, 2013 | 42 | 2013 |
A chromatin-independent role of Polycomb-like 1 to stabilize p53 and promote cellular quiescence GL Brien, E Healy, E Jerman, E Conway, E Fadda, D O'Donovan, ... Genes & development 29 (21), 2231-2243, 2015 | 41 | 2015 |
On the role of water models in quantifying the binding free energy of highly conserved water molecules in proteins: The case of concanavalin a E Fadda, RJ Woods Journal of Chemical Theory and Computation 7 (10), 3391-3398, 2011 | 41 | 2011 |
Principles of SARS-CoV-2 glycosylation H Chawla, E Fadda, M Crispin Current Opinion in Structural Biology 75, 102402, 2022 | 37 | 2022 |
Citizen scientists create an exascale computer to combat COVID-19 MI Zimmerman, JR Porter, MD Ward, S Singh, N Vithani, A Meller, ... BioRxiv, 2020.06. 27.175430, 2020 | 36 | 2020 |
Acidity of a Cu-Bound Histidine in the Binuclear Center of Cytochrome c Oxidase E Fadda, N Chakrabarti, R Pomès The Journal of Physical Chemistry B 109 (47), 22629-22640, 2005 | 34 | 2005 |
Variations within the glycan shield of SARS-CoV-2 impact viral spike dynamics ML Newby, CA Fogarty, JD Allen, J Butler, E Fadda, M Crispin Journal of Molecular Biology 435 (4), 167928, 2023 | 31 | 2023 |
Molecular simulations of complex carbohydrates and glycoconjugates E Fadda Current Opinion in Chemical Biology 69, 102175, 2022 | 27 | 2022 |