New advances in metadynamics L Sutto, S Marsili, FL Gervasio Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (5), 771-779, 2012 | 187 | 2012 |
Effects of oncogenic mutations on the conformational free-energy landscape of EGFR kinase L Sutto, FL Gervasio Proceedings of the National Academy of Sciences 110 (26), 10616-10621, 2013 | 182 | 2013 |
From residue coevolution to protein conformational ensembles and functional dynamics L Sutto, S Marsili, A Valencia, FL Gervasio Proceedings of the National Academy of Sciences 112 (44), 13567-13572, 2015 | 137 | 2015 |
The different flexibility of c-Src and c-Abl kinases regulates the accessibility of a druggable inactive conformation S Lovera, L Sutto, R Boubeva, L Scapozza, N Dölker, FL Gervasio Journal of the American Chemical Society 134 (5), 2496-2499, 2012 | 120 | 2012 |
Consequences of localized frustration for the folding mechanism of the IM7 protein L Sutto, J Lätzer, JA Hegler, DU Ferreiro, PG Wolynes Proceedings of the National Academy of Sciences 104 (50), 19825-19830, 2007 | 112 | 2007 |
The effect of mutations on drug sensitivity and kinase activity of fibroblast growth factor receptors: a combined experimental and theoretical study TD Bunney, S Wan, N Thiyagarajan, L Sutto, SV Williams, P Ashford, ... EBioMedicine 2 (3), 194-204, 2015 | 83 | 2015 |
Use of the Metropolis algorithm to simulate the dynamics of protein chains G Tiana, L Sutto, RA Broglia Physica A: Statistical Mechanics and its Applications 380, 241-249, 2007 | 73 | 2007 |
Molecular engineering of polymersome surface topology L Ruiz-Pérez, L Messager, J Gaitzsch, A Joseph, L Sutto, FL Gervasio, ... Science advances 2 (4), e1500948, 2016 | 64 | 2016 |
Changes in the free-energy landscape of p38α MAP kinase through its canonical activation and binding events as studied by enhanced molecular dynamics simulations A Kuzmanic, L Sutto, G Saladino, AR Nebreda, FL Gervasio, M Orozco Elife 6, e22175, 2017 | 63 | 2017 |
Comparing the efficiency of biased and unbiased molecular dynamics in reconstructing the free energy landscape of met-enkephalin L Sutto, M D’Abramo, FL Gervasio Journal of Chemical Theory and Computation 6 (12), 3640-3646, 2010 | 58 | 2010 |
An allosteric cross-talk between the activation loop and the ATP binding site regulates the activation of Src kinase E Pucheta-Martínez, G Saladino, MA Morando, J Martinez-Torrecuadrada, ... Scientific Reports 6 (1), 24235, 2016 | 51 | 2016 |
Design of HIV‐1‐PR inhibitors that do not create resistance: Blocking the folding of single monomers RA Broglia, G Tiana, L Sutto, D Provasi, F Simona Protein science 14 (10), 2668-2681, 2005 | 51 | 2005 |
Conformational changes and free energies in a proline isomerase E Papaleo, L Sutto, FL Gervasio, K Lindorff-Larsen Journal of Chemical Theory and Computation 10 (9), 4169-4174, 2014 | 50 | 2014 |
Wiley Interdiscip L Sutto, S Marsili, FL Gervasio Rev.: Comput. Mol. Sci 2 (771), 10.1002, 2012 | 45 | 2012 |
The effect of a widespread cancer-causing mutation on the inactive to active dynamics of the B-Raf kinase KA Marino, L Sutto, FL Gervasio Journal of the American Chemical Society 137 (16), 5280-5283, 2015 | 43 | 2015 |
Sequence of events in folding mechanism: Beyond the Gō model L Sutto, G Tiana, RA Broglia Protein science 15 (7), 1638-1652, 2006 | 40 | 2006 |
The SH2 domain regulates c-Abl kinase activation by a cyclin-like mechanism and remodulation of the hinge motion N Dölker, MW Gorna, L Sutto, AS Torralba, G Superti-Furga, FL Gervasio PLoS computational biology 10 (10), e1003863, 2014 | 31 | 2014 |
A Hybrid All-Atom Structure-Based Model for Protein Folding and Large Scale Conformational Transitions L Sutto, I Mereu, FL Gervasio Journal of Chemical Theory and Computation 7, 4208-4217, 2011 | 27 | 2011 |
Lymphotactin: how a protein can adopt two folds C Camilloni, L Sutto The Journal of chemical physics 131 (24), 2009 | 24 | 2009 |
Early events in protein folding: Is there something more than hydrophobic burst? C Camilloni, L Sutto, D Provasi, G Tiana, RA Broglia Protein science 17 (8), 1424-1433, 2008 | 22 | 2008 |