| Long-pentraxin 3 derivative as a small-molecule FGF trap for cancer therapy R Ronca, A Giacomini, E Di Salle, D Coltrini, K Pagano, L Ragona, ... Cancer cell 28 (2), 225-239, 2015 | 115 | 2015 |
| 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 | 90 | 2018 |
| Molecular dynamics simulations reveal the mechanisms of allosteric activation of Hsp90 by designed ligands G Vettoretti, E Moroni, S Sattin, J Tao, DA Agard, A Bernardi, G Colombo Scientific reports 6 (1), 23830, 2016 | 87 | 2016 |
| Activation of Hsp90 enzymatic activity and conformational dynamics through rationally designed allosteric ligands S Sattin, J Tao, G Vettoretti, E Moroni, M Pennati, A Lopergolo, L Morelli, ... Chemistry–A European Journal 21 (39), 13598-13608, 2015 | 75 | 2015 |
| Second generation of fucose-based DC-SIGN ligands: affinity improvement and specificity versus Langerin M Andreini, D Doknic, I Sutkeviciute, JJ Reina, J Duan, E Chabrol, ... Organic & biomolecular chemistry 9 (16), 5778-5786, 2011 | 73 | 2011 |
| 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 | 68 | 2016 |
| Rational design of allosteric and selective inhibitors of the molecular chaperone TRAP1 C Sanchez-Martin, E Moroni, M Ferraro, C Laquatra, G Cannino, ... Cell reports 31 (3), 2020 | 67 | 2020 |
| Exploiting conformational dynamics in drug discovery: design of C-terminal inhibitors of Hsp90 with improved activities E Moroni, H Zhao, BSJ Blagg, G Colombo Journal of chemical information and modeling 54 (1), 195-208, 2014 | 62 | 2014 |
| Rational design, synthesis and characterization of potent, non-peptidic Smac mimics/XIAP inhibitors as proapoptotic agents for cancer therapy P Seneci, A Bianchi, C Battaglia, L Belvisi, M Bolognesi, A Caprini, ... Bioorganic & medicinal chemistry 17 (16), 5834-5856, 2009 | 50 | 2009 |
| The structural asymmetry of mitochondrial Hsp90 (Trap1) determines fine tuning of functional dynamics E Moroni, DA Agard, G Colombo Journal of Chemical Theory and Computation 14 (2), 1033-1044, 2018 | 49 | 2018 |
| Design, synthesis and biological evaluation of biphenylamide derivatives as Hsp90 C-terminal inhibitors H Zhao, G Garg, J Zhao, E Moroni, A Girgis, LS Franco, S Singh, ... European journal of medicinal chemistry 89, 442-466, 2015 | 47 | 2015 |
| Transcription factor protein interactomes reveal genetic determinants in heart disease B Gonzalez-Teran, M Pittman, F Felix, R Thomas, D Richmond-Buccola, ... Cell 185 (5), 794-814. e30, 2022 | 43 | 2022 |
| Identification of a new scaffold for Hsp90 C-terminal inhibition H Zhao, E Moroni, G Colombo, BSJ Blagg ACS Medicinal Chemistry Letters 5 (1), 84-88, 2014 | 43 | 2014 |
| 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 | 39 | 2020 |
| MM/PBSA analysis of molecular dynamics simulations of bovine β‐lactoglobulin: Free energy gradients in conformational transitions? F Fogolari, E Moroni, M Wojciechowski, M Baginski, L Ragona, H Molinari Proteins: Structure, Function, and Bioinformatics 59 (1), 91-103, 2005 | 39 | 2005 |
| Design of allosteric stimulators of the Hsp90 ATPase as new anticancer leads I D'Annessa, S Sattin, J Tao, M Pennati, C Sànchez‐Martìn, E Moroni, ... Chemistry–A European Journal 23 (22), 5188-5192, 2017 | 38 | 2017 |
| The calcium-binding type III repeats domain of thrombospondin-2 binds to fibroblast growth factor 2 (FGF2) M Rusnati, P Borsotti, E Moroni, C Foglieni, P Chiodelli, L Carminati, ... Angiogenesis 22, 133-144, 2019 | 35 | 2019 |
| Dimeric Smac mimetics/IAP inhibitors as in vivo-active pro-apoptotic agents. Part II: Structural and biological characterization D Lecis, E Mastrangelo, L Belvisi, M Bolognesi, M Civera, F Cossu, ... Bioorganic & medicinal chemistry 20 (22), 6709-6723, 2012 | 35 | 2012 |
| Machine learning prediction of allosteric drug activity from molecular dynamics F Marchetti, E Moroni, A Pandini, G Colombo The journal of physical chemistry letters 12 (15), 3724-3732, 2021 | 33 | 2021 |
| Impact of mutations on NPAC structural dynamics: mechanistic insights from MD simulations M Montefiori, S Pilotto, C Marabelli, E Moroni, M Ferraro, SA Serapian, ... Journal of Chemical Information and Modeling 59 (9), 3927-3937, 2019 | 30 | 2019 |
