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Elisa Fadda
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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
8402020
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
5642021
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
2312021
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
2072010
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
1132014
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
682021
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
622022
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
612011
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
612008
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
602016
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
432019
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
412015
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
412013
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
402023
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
392011
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
352020
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
342005
Principles of SARS-CoV-2 glycosylation
H Chawla, E Fadda, M Crispin
Current Opinion in Structural Biology 75, 102402, 2022
322022
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
292023
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, ME Casida, DR Salahub
International journal of quantum chemistry 91 (2), 67-83, 2003
272003
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