| 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 | 203 | 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 | 169 | 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 | 114 | 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 | 96 | 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 | 93 | 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 | 88 | 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 | 86 | 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 | 72 | 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 | 71 | 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 | 69 | 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 | 65 | 2012 |
| 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 | 64 | 2019 |
| 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 | 62 | 2008 |
| 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 | 61 | 2018 |
| 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 | 58 | 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 | 53 | 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 | 50 | 2010 |
| 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 | 47 | 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 | 46 | 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 | 43 | 2020 |
