| The role of protein loops and linkers in conformational dynamics and allostery E Papaleo, G Saladino, M Lambrughi, K Lindorff-Larsen, FL Gervasio, ... Chemical reviews 116 (11), 6391-6423, 2016 | 354 | 2016 |
| Understanding cryptic pocket formation in protein targets by enhanced sampling simulations V Oleinikovas, G Saladino, BP Cossins, FL Gervasio Journal of the American Chemical Society 138 (43), 14257-14263, 2016 | 160 | 2016 |
| Role of glutamine synthetase in angiogenesis beyond glutamine synthesis G Eelen, C Dubois, AR Cantelmo, J Goveia, U Brüning, M DeRan, ... Nature 561 (7721), 63-69, 2018 | 155 | 2018 |
| Investigating drug–target association and dissociation mechanisms using metadynamics-based algorithms A Cavalli, A Spitaleri, G Saladino, FL Gervasio Accounts of chemical research 48 (2), 277-285, 2015 | 147 | 2015 |
| Molecular mechanism of SSR128129E, an extracellularly acting, small-molecule, allosteric inhibitor of FGF receptor signaling C Herbert, U Schieborr, K Saxena, J Juraszek, F De Smet, C Alcouffe, ... Cancer cell 23 (4), 489-501, 2013 | 135 | 2013 |
| An efficient metadynamics-based protocol to model the binding affinity and the transition state ensemble of G-protein-coupled receptor ligands N Saleh, P Ibrahim, G Saladino, FL Gervasio, T Clark Journal of chemical information and modeling 57 (5), 1210-1217, 2017 | 112 | 2017 |
| Conformational selection and induced fit mechanisms in the binding of an anticancer drug to the c-Src kinase MA Morando, G Saladino, N D’Amelio, E Pucheta-Martinez, S Lovera, ... Scientific reports 6 (1), 24439, 2016 | 77 | 2016 |
| Bidirectional allosteric communication between the ATP-binding site and the regulatory PIF pocket in PDK1 protein kinase JO Schulze, G Saladino, K Busschots, S Neimanis, E Süß, D Odadzic, ... Cell chemical biology 23 (10), 1193-1205, 2016 | 73 | 2016 |
| Protein CoAlation and antioxidant function of coenzyme A in prokaryotic cells Y Tsuchiya, A Zhyvoloup, J Baković, N Thomas, BYK Yu, S Das, C Orengo, ... Biochemical Journal 475 (11), 1909-1937, 2018 | 68 | 2018 |
| Towards a molecular understanding of the link between imatinib resistance and kinase conformational dynamics S Lovera, M Morando, E Pucheta-Martinez, JL Martinez-Torrecuadrada, ... PLoS computational biology 11 (11), e1004578, 2015 | 67 | 2015 |
| 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 |
| Efficient numerical reconstruction of protein folding kinetics with partial path sampling and pathlike variables J Juraszek, G Saladino, TS Van Erp, FL Gervasio Physical Review Letters 110 (10), 108106, 2013 | 51 | 2013 |
| 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 | 49 | 2016 |
| Assessing the performance of metadynamics and path variables in predicting the binding free energies of p38 inhibitors G Saladino, L Gauthier, M Bianciotto, FL Gervasio Journal of Chemical Theory and Computation 8 (4), 1165-1170, 2012 | 49 | 2012 |
| The mechanism of allosteric coupling in choline kinase α1 revealed by the action of a rationally designed inhibitor M Sahún‐Roncero, B Rubio‐Ruiz, G Saladino, A Conejo‐García, ... Angewandte Chemie International Edition 52 (17), 4582-4586, 2013 | 47 | 2013 |
| Assessment of the model refinement category in CASP12 L Hovan, V Oleinikovas, H Yalinca, A Kryshtafovych, G Saladino, ... PROTEINS: structure, function, and bioinformatics 86, 152-167, 2018 | 46 | 2018 |
| A three‐site mechanism for agonist/antagonist selective binding to vasopressin receptors N Saleh, G Saladino, FL Gervasio, E Haensele, L Banting, DC Whitley, ... Angewandte Chemie 128 (28), 8140-8144, 2016 | 45 | 2016 |
| In silico design of tubulin-targeted antimitotic peptides S Pieraccini, G Saladino, G Cappelletti, D Cartelli, P Francescato, ... Nature chemistry 1 (8), 642-648, 2009 | 45 | 2009 |
| Investigating allosteric effects on the functional dynamics of β2-adrenergic ternary complexes with enhanced-sampling simulations N Saleh, G Saladino, FL Gervasio, T Clark Chemical Science 8 (5), 4019-4026, 2017 | 36 | 2017 |
| A multiscale simulation approach to modeling drug–protein binding kinetics S Haldar, F Comitani, G Saladino, C Woods, MW van der Kamp, ... Journal of chemical theory and computation 14 (11), 6093-6101, 2018 | 33 | 2018 |
