Modeling lipid raft domains containing a mono-unsaturated phosphatidylethanolamine species
2015 Ferraro, M; Masetti, M; Recanatini, M; Cavalli, A; Bottegoni, G
The ligand binding mechanism to purine nucleoside phosphorylase elucidated via molecular dynamics and machine learning
2015 Decherchi, S; Berteotti, A; Bottegoni, G; Rocchia, W; Cavalli, A
Structure-Based Predictions of Activity Cliffs
2015 Husby, J; Bottegoni, G; Kufareva, I; Abagyan, R; Cavalli, A
Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies
2016 Gaspari, R; Rechlin, C; Heine, A; Bottegoni, G; Rocchia, W; Schwarz, D; Bomke, J; Gerber, Hd; Klebe, G; Cavalli, A
Combining Galantamine and Memantine in Multitargeted, New Chemical Entities Potentially Useful in Alzheimer's Disease
2012 Simoni, E; Daniele, S; Bottegoni, G; Pizzirani, D; Trincavelli, Ml; Goldoni, L; Tarozzo, G; Reggiani, A; Martini, C; Piomelli, D; Melchiorre, C; Rosini, M; Cavalli, A
Benzimidazole derivatives as kinase inhibitors
2014 Garuti, L; Roberti, M; Bottegoni, G.
Non-ATP Competitive Protein Kinase Inhibitors
2010 Garuti, L; Roberti, M; Bottegoni, G
Protein-ligand docking
2011 Bottegoni, G
Low molecular weight, non-peptidic agonists of TrkA receptor with NGF-mimetic activity
2012 Scarpi, D; Cirelli, D; Matrone, C; Castronovo, G; Rosini, P; Occhiato, Eg; Romano, F; Bartali, L; Clemente, Am; Bottegoni, G; Cavalli, A; De Chiara, G; Bonini, P; Calissano, P; Palamara, At; Garaci, E; Torcia, Mg; Guarna, A; Cozzolino, F
3,4-Dihydro-1,3,5-triazin-2(1H)-ones as the First Dual BACE-1/GSK-3β Fragment Hits against Alzheimer's Disease
2015 Prati, Federica; DE SIMONE, Angela; Armirotti, Andrea; Summa, Maria; Pizzirani, Daniela; Scarpelli, Rita; Bertozzi, Sine Mandrup; Perez, Daniel I.; Andrisano, Vincenza; Perez Castillo, Ana; Monti, Barbara; Massenzio, Francesca; Polito, Letizia; Racchi, Marco; Sabatino, Piera; Bottegoni, Giovanni; Martinez, Ana; Cavalli, Andrea; Bolognesi, MARIA LAURA
Versatility of the Curcumin Scaffold: Discovery of Potent and Balanced Dual BACE-1 and GSK-3β Inhibitors
2016 DI MARTINO, RITA MARIA CONCETTA; DE SIMONE, Angela; Andrisano, Vincenza; Bisignano, Paola; Bisi, Alessandra; Gobbi, Silvia; Rampa, Angela; Fato, Romana; Bergamini, Christian; Perez, Daniel I.; Martinez, Ana; Bottegoni, Giovanni; Cavalli, Andrea; Belluti, Federica
Polo-like kinases inhibitors
2012 Garuti, L.; Roberti, M.; Bottegoni, G.
Dual inhibition of REV-ERB beta and autophagy as a novel pharmacological approach to induce cytotoxicity in cancer cells
2015 De Mei, C; Ercolani, L; Parodi, C; Veronesi, M; Lo Vecchio, C; Bottegoni, G; Torrente, E; Scarpelli, R; Marotta, R; Ruffili, R; Mattioli, M; Reggiani, A; Wade, M; Grimaldi, B
Small Molecule Aurora Kinases Inhibitors
2009 Garuti, L; Roberti, M; Bottegoni, G
SERAPhiC: A Benchmark for in Silico Fragment-Based Drug Design
2011 Favia, Ad; Bottegoni, G; Nobeli, I; Bisignano, P; Cavalli, A
Multitarget Drug Discovery for Alzheimer's Disease: Triazinones as BACE-1 and GSK-3 beta Inhibitors
2015 Prati, F; De Simone, A; Bisignano, P; Armirotti, A; Summa, M; Pizzirani, D; Scarpelli, R; Perez, Di; Andrisano, V; Perez-Castillo, A; Monti, B; Massenzio, F; Polito, L; Racchi, M; Favia, Ad; Bottegoni, G; Martinez, A; Bolognesi, Ml; Cavalli, A
Applying a multitarget rational drug design strategy: the first set of modulators with potent and balanced activity toward dopamine D3 receptor and fatty acid amide hydrolase
2014 De Simone, A; Ruda, Gf; Albani, C; Tarozzo, G; Bandiera, T; Piomelli, D; Cavalli, A; Bottegoni, G
A Triazolotriazine-Based Dual GSK-3β/CK-1δ Ligand as a Potential Neuroprotective Agent Presenting Two Different Mechanisms of Enzymatic Inhibition
2019 Redenti, Sara; Marcovich, Irene; De Vita, Teresa; Pérez, Concepción; De Zorzi, Rita; Demitri, Nicola; Perez, Daniel I.; Bottegoni, Giovanni; Bisignano, Paola; Bissaro, Maicol; Moro, Stefano; Martinez, Ana; Storici, Paola; Spalluto, Giampiero; Cavalli, Andrea; Federico, Stephanie
Molecular Dynamics Simulations and Kinetic Measurements to Estimate and Predict Protein-Ligand Residence Times
2016 Mollica, L; Theret, I; Antoine, M; Perron-Sierra, F; Charton, Y; Fourquez, Jm; Wierzbicki, M; Boutin, Ja; Ferry, G; Decherchi, S; Bottegoni, G; Ducrot, P; Cavalli, A
Cyclin-dependent kinases: bridging their structure and function through computations
2011 De Vivo, M; Bottegoni, G; Berteotti, A; Recanatini, M; Gervasio, Fl; Cavalli, A
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Modeling lipid raft domains containing a mono-unsaturated phosphatidylethanolamine species | 1-gen-2015 | Ferraro, M; Masetti, M; Recanatini, M; Cavalli, A; Bottegoni, G | |
| The ligand binding mechanism to purine nucleoside phosphorylase elucidated via molecular dynamics and machine learning | 1-gen-2015 | Decherchi, S; Berteotti, A; Bottegoni, G; Rocchia, W; Cavalli, A | |
| Structure-Based Predictions of Activity Cliffs | 1-gen-2015 | Husby, J; Bottegoni, G; Kufareva, I; Abagyan, R; Cavalli, A | |
| Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies | 1-gen-2016 | Gaspari, R; Rechlin, C; Heine, A; Bottegoni, G; Rocchia, W; Schwarz, D; Bomke, J; Gerber, Hd; Klebe, G; Cavalli, A | |
| Combining Galantamine and Memantine in Multitargeted, New Chemical Entities Potentially Useful in Alzheimer's Disease | 1-gen-2012 | Simoni, E; Daniele, S; Bottegoni, G; Pizzirani, D; Trincavelli, Ml; Goldoni, L; Tarozzo, G; Reggiani, A; Martini, C; Piomelli, D; Melchiorre, C; Rosini, M; Cavalli, A | |
| Benzimidazole derivatives as kinase inhibitors | 1-gen-2014 | Garuti, L; Roberti, M; Bottegoni, G. | |
| Non-ATP Competitive Protein Kinase Inhibitors | 1-gen-2010 | Garuti, L; Roberti, M; Bottegoni, G | |
| Protein-ligand docking | 1-gen-2011 | Bottegoni, G | |
| Low molecular weight, non-peptidic agonists of TrkA receptor with NGF-mimetic activity | 1-gen-2012 | Scarpi, D; Cirelli, D; Matrone, C; Castronovo, G; Rosini, P; Occhiato, Eg; Romano, F; Bartali, L; Clemente, Am; Bottegoni, G; Cavalli, A; De Chiara, G; Bonini, P; Calissano, P; Palamara, At; Garaci, E; Torcia, Mg; Guarna, A; Cozzolino, F | |
| 3,4-Dihydro-1,3,5-triazin-2(1H)-ones as the First Dual BACE-1/GSK-3β Fragment Hits against Alzheimer's Disease | 1-gen-2015 | Prati, Federica; DE SIMONE, Angela; Armirotti, Andrea; Summa, Maria; Pizzirani, Daniela; Scarpelli, Rita; Bertozzi, Sine Mandrup; Perez, Daniel I.; Andrisano, Vincenza; Perez Castillo, Ana; Monti, Barbara; Massenzio, Francesca; Polito, Letizia; Racchi, Marco; Sabatino, Piera; Bottegoni, Giovanni; Martinez, Ana; Cavalli, Andrea; Bolognesi, MARIA LAURA | |
| Versatility of the Curcumin Scaffold: Discovery of Potent and Balanced Dual BACE-1 and GSK-3β Inhibitors | 1-gen-2016 | DI MARTINO, RITA MARIA CONCETTA; DE SIMONE, Angela; Andrisano, Vincenza; Bisignano, Paola; Bisi, Alessandra; Gobbi, Silvia; Rampa, Angela; Fato, Romana; Bergamini, Christian; Perez, Daniel I.; Martinez, Ana; Bottegoni, Giovanni; Cavalli, Andrea; Belluti, Federica | |
| Polo-like kinases inhibitors | 1-gen-2012 | Garuti, L.; Roberti, M.; Bottegoni, G. | |
| Dual inhibition of REV-ERB beta and autophagy as a novel pharmacological approach to induce cytotoxicity in cancer cells | 1-gen-2015 | De Mei, C; Ercolani, L; Parodi, C; Veronesi, M; Lo Vecchio, C; Bottegoni, G; Torrente, E; Scarpelli, R; Marotta, R; Ruffili, R; Mattioli, M; Reggiani, A; Wade, M; Grimaldi, B | |
| Small Molecule Aurora Kinases Inhibitors | 1-gen-2009 | Garuti, L; Roberti, M; Bottegoni, G | |
| SERAPhiC: A Benchmark for in Silico Fragment-Based Drug Design | 1-gen-2011 | Favia, Ad; Bottegoni, G; Nobeli, I; Bisignano, P; Cavalli, A | |
| Multitarget Drug Discovery for Alzheimer's Disease: Triazinones as BACE-1 and GSK-3 beta Inhibitors | 1-gen-2015 | Prati, F; De Simone, A; Bisignano, P; Armirotti, A; Summa, M; Pizzirani, D; Scarpelli, R; Perez, Di; Andrisano, V; Perez-Castillo, A; Monti, B; Massenzio, F; Polito, L; Racchi, M; Favia, Ad; Bottegoni, G; Martinez, A; Bolognesi, Ml; Cavalli, A | |
| Applying a multitarget rational drug design strategy: the first set of modulators with potent and balanced activity toward dopamine D3 receptor and fatty acid amide hydrolase | 1-gen-2014 | De Simone, A; Ruda, Gf; Albani, C; Tarozzo, G; Bandiera, T; Piomelli, D; Cavalli, A; Bottegoni, G | |
| A Triazolotriazine-Based Dual GSK-3β/CK-1δ Ligand as a Potential Neuroprotective Agent Presenting Two Different Mechanisms of Enzymatic Inhibition | 1-gen-2019 | Redenti, Sara; Marcovich, Irene; De Vita, Teresa; Pérez, Concepción; De Zorzi, Rita; Demitri, Nicola; Perez, Daniel I.; Bottegoni, Giovanni; Bisignano, Paola; Bissaro, Maicol; Moro, Stefano; Martinez, Ana; Storici, Paola; Spalluto, Giampiero; Cavalli, Andrea; Federico, Stephanie | |
| Molecular Dynamics Simulations and Kinetic Measurements to Estimate and Predict Protein-Ligand Residence Times | 1-gen-2016 | Mollica, L; Theret, I; Antoine, M; Perron-Sierra, F; Charton, Y; Fourquez, Jm; Wierzbicki, M; Boutin, Ja; Ferry, G; Decherchi, S; Bottegoni, G; Ducrot, P; Cavalli, A | |
| Cyclin-dependent kinases: bridging their structure and function through computations | 1-gen-2011 | De Vivo, M; Bottegoni, G; Berteotti, A; Recanatini, M; Gervasio, Fl; Cavalli, A |
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