Giulia Morra
Giulia Morra
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Swe1Wee1-dependent tyrosine phosphorylation of Hsp90 regulates distinct facets of chaperone function
M Mollapour, S Tsutsumi, AC Donnelly, K Beebe, MJ Tokita, MJ Lee, ...
Molecular cell 37 (3), 333-343, 2010
Modeling signal propagation mechanisms and ligand-based conformational dynamics of the Hsp90 molecular chaperone full-length dimer
G Morra, G Verkhivker, G Colombo
PLoS computational biology 5 (3), e1000323, 2009
Corresponding functional dynamics across the Hsp90 Chaperone family: insights from a multiscale analysis of MD simulations
G Morra, R Potestio, C Micheletti, G Colombo
PLoS computational biology 8 (3), e1002433, 2012
Dynamics-based discovery of allosteric inhibitors: selection of new ligands for the C-terminal domain of Hsp90
G Morra, MAC Neves, CJ Plescia, S Tsustsumi, L Neckers, G Verkhivker, ...
Journal of chemical theory and computation 6 (9), 2978-2989, 2010
Allosteric modulators of HSP90 and HSP70: dynamics meets function through structure-based drug design
M Ferraro, I D’Annessa, E Moroni, G Morra, A Paladino, S Rinaldi, ...
Journal of medicinal chemistry 62 (1), 60-87, 2018
Predicting interaction sites from the energetics of isolated proteins: a new approach to epitope mapping
G Scarabelli, G Morra, G Colombo
Biophysical journal 98 (9), 1966-1975, 2010
Understanding ligand-based modulation of the Hsp90 molecular chaperone dynamics at atomic resolution
G Colombo, G Morra, M Meli, G Verkhivker
Proceedings of the National Academy of Sciences 105 (23), 7976-7981, 2008
Redox potential of quinones in photosynthetic reaction centers from Rhodobacter sphaeroides: dependence on protonation of Glu-L212 and Asp-L213
H Ishikita, G Morra, EW Knapp
Biochemistry 42 (13), 3882-3892, 2003
Allosteric regulation points control the conformational dynamics of the molecular chaperone Hsp90
A Rehn, E Moroni, BK Zierer, F Tippel, G Morra, C John, K Richter, ...
Journal of Molecular Biology 428 (22), 4559-4571, 2016
Methionine sulfoxides on prion protein helix-3 switch on the α-fold destabilization required for conversion
G Colombo, M Meli, G Morra, R Gabizon, M Gasset
PloS one 4 (1), e4296, 2009
Molecular mechanism of allosteric communication in Hsp70 revealed by molecular dynamics simulations
F Chiappori, I Merelli, G Colombo, L Milanesi, G Morra
PLoS computational biology 8 (12), e1002844, 2012
Mechanisms of lipid scrambling by the G protein-coupled receptor opsin
G Morra, AM Razavi, K Pandey, H Weinstein, AK Menon, G Khelashvili
Structure 26 (2), 356-367. e3, 2018
Relationship between energy distribution and fold stability: Insights from molecular dynamics simulations of native and mutant proteins
G Morra, G Colombo
Proteins: Structure, Function, and Bioinformatics 72 (2), 660-672, 2008
Investigating the mechanism of peptide aggregation: insights from mixed Monte Carlo-molecular dynamics simulations
M Meli, G Morra, G Colombo
Biophysical journal 94 (11), 4414-4426, 2008
Mechanisms of differential allosteric modulation in homologous proteins: Insights from the analysis of internal dynamics and energetics of PDZ domains
G Morra, A Genoni, G Colombo
Journal of Chemical Theory and Computation 10 (12), 5677-5689, 2014
Molecular recognition and drug-lead identification: what can molecular simulations tell us?
G Morra, A Genoni, MAC Neves, KM Merz Jr, G Colombo
Current medicinal chemistry 17 (1), 25-41, 2010
A machine learning approach for the discovery of ligand-specific functional mechanisms of GPCRs
A Plante, DM Shore, G Morra, G Khelashvili, H Weinstein
Molecules 24 (11), 2097, 2019
An atomistic view of Hsp70 allosteric crosstalk: from the nucleotide to the substrate binding domain and back
F Chiappori, I Merelli, L Milanesi, G Colombo, G Morra
Scientific Reports 6 (1), 23474, 2016
Identification of domains in protein structures from the analysis of intramolecular interactions
A Genoni, G Morra, G Colombo
The Journal of Physical Chemistry B 116 (10), 3331-3343, 2012
The answer lies in the energy: how simple atomistic molecular dynamics simulations may hold the key to epitope prediction on the fully glycosylated SARS-CoV-2 spike protein
SA Serapian, F Marchetti, A Triveri, G Morra, M Meli, E Moroni, GA Sautto, ...
The Journal of Physical Chemistry Letters 11 (19), 8084-8093, 2020
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