Dynamic docking: a paradigm shift in computational drug discovery D Gioia, M Bertazzo, M Recanatini, M Masetti, A Cavalli Molecules 22 (11), 2029, 2017 | 156 | 2017 |
Comprehensive analysis of binding sites in tubulin T Mühlethaler, D Gioia, AE Prota, ME Sharpe, A Cavalli, MO Steinmetz Angewandte Chemie 133 (24), 13443-13454, 2021 | 57 | 2021 |
Synthetic lethality in pancreatic cancer: Discovery of a new RAD51-BRCA2 small molecule disruptor that inhibits homologous recombination and synergizes with olaparib G Bagnolini, D Milano, M Manerba, F Schipani, JA Ortega, D Gioia, ... Journal of Medicinal Chemistry 63 (5), 2588-2619, 2020 | 34 | 2020 |
Protein tunnels: the case of urease accessory proteins F Musiani, D Gioia, M Masetti, F Falchi, A Cavalli, M Recanatini, S Ciurli Journal of Chemical Theory and Computation 13 (5), 2322-2331, 2017 | 31 | 2017 |
Novel fragment-derived colchicine-site binders as microtubule-destabilizing agents NM de la Roche, T Mühlethaler, RMC Di Martino, JA Ortega, D Gioia, ... European Journal of Medicinal Chemistry 241, 114614, 2022 | 18 | 2022 |
Rational design of a novel tubulin inhibitor with a unique mechanism of action T Mühlethaler, L Milanos, JA Ortega, TB Blum, D Gioia, B Roy, AE Prota, ... Angewandte Chemie 134 (25), e202204052, 2022 | 18 | 2022 |
Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography M Wranik, T Weinert, C Slavov, T Masini, A Furrer, N Gaillard, D Gioia, ... Nature Communications 14 (1), 903, 2023 | 17 | 2023 |
Targeting the protein tunnels of the urease accessory complex: a theoretical investigation M Masetti, F Falchi, D Gioia, M Recanatini, S Ciurli, F Musiani Molecules 25 (12), 2911, 2020 | 13 | 2020 |
Identification of RAD51–BRCA2 Inhibitors Using N-Acylhydrazone-Based Dynamic Combinatorial Chemistry G Bagnolini, B Balboni, F Schipani, D Gioia, M Veronesi, F De Franco, ... ACS Medicinal Chemistry Letters 13 (8), 1262-1269, 2022 | 9 | 2022 |
Innovative strategy toward mutant CFTR rescue in cystic fibrosis: design and synthesis of thiadiazole inhibitors of the E3 ligase RNF5 I Brusa, E Sondo, E Pesce, V Tomati, D Gioia, F Falchi, B Balboni, ... Journal of Medicinal Chemistry 66 (14), 9797-9822, 2023 | 6 | 2023 |
Molecular snapshots of drug release from tubulin over eleven orders of magnitude in time M Wranik, T Weinert, C Slavov, T Masini, A Furrer, N Gaillard, D Gioia, ... bioRxiv, 2022.02. 17.480857, 2022 | 4 | 2022 |
DESIGN AND SYNTHESIS OF SMALL-MOLECULES AS TUBULIN COLCHICINE SITE BINDERS FOR CANCER TREATMENT NM De La Roche, T Mühlethaler, D Gioia, RMC Di Martino, JAO Martínez, ... Organising Committees, 102, 2023 | | 2023 |
Release of a photopharmacological drug from its protein target captured by time-resolved serial crystallography M Wranik, T Weinert, C Slavov, T Masini, A Furrer, N Gaillard, D Gioia, ... | | 2022 |
Release of a photopharmacological drug from its protein target captured by time-resolved serial crystallography (preprint) M Wranik, T Weinert, C Slavov, T Masini, A Furrer, N Gaillard, D Gioia, ... | | 2022 |
Fully Flexible Binding of Taxane-Site Ligands to Tubulin via Enhanced Sampling MD Simulations D Gioia alma, 2018 | | 2018 |