| Machine-learning approaches in drug discovery: methods and applications A Lavecchia Drug discovery today 20 (3), 318-331, 2015 | 853 | 2015 |
| Virtual screening strategies in drug discovery: a critical review A Lavecchia, C Di Giovanni Current medicinal chemistry 20 (23), 2839-2860, 2013 | 766 | 2013 |
| Deep learning in drug discovery: opportunities, challenges and future prospects A Lavecchia Drug discovery today 24 (10), 2017-2032, 2019 | 355 | 2019 |
| In silico methods to address polypharmacology: current status, applications and future perspectives A Lavecchia, C Cerchia Drug Discovery Today 21 (2), 288-298, 2016 | 232 | 2016 |
| Arylthioindole inhibitors of tubulin polymerization. 3. Biological evaluation, structure− activity relationships and molecular modeling studies G La Regina, MC Edler, A Brancale, S Kandil, A Coluccia, F Piscitelli, ... Journal of medicinal chemistry 50 (12), 2865-2874, 2007 | 227 | 2007 |
| Design, molecular modeling, synthesis, and anti-HIV-1 activity of new indolyl aryl sulfones. Novel derivatives of the indole-2-carboxamide R Ragno, A Coluccia, G La Regina, G De Martino, F Piscitelli, ... Journal of medicinal chemistry 49 (11), 3172-3184, 2006 | 220 | 2006 |
| Pyrido[1,2-a]pyrimidin-4-one Derivatives as a Novel Class of Selective Aldose Reductase Inhibitors Exhibiting Antioxidant Activity C La Motta, S Sartini, L Mugnaini, F Simorini, S Taliani, S Salerno, ... Journal of Medicinal Chemistry 50 (20), 4917-4927, 2007 | 172 | 2007 |
| Docking Studies on αvβ3 Integrin Ligands: Pharmacophore Refinement and Implications for Drug Design L Marinelli, A Lavecchia, KE Gottschalk, E Novellino, H Kessler Journal of medicinal chemistry 46 (21), 4393-4404, 2003 | 171 | 2003 |
| Insights into the mechanism of partial agonism: crystal structures of the peroxisome proliferator-activated receptor γ ligand-binding domain in the complex with two … G Pochetti, C Godio, N Mitro, D Caruso, A Galmozzi, S Scurati, F Loiodice, ... Journal of Biological Chemistry 282 (23), 17314-17324, 2007 | 143 | 2007 |
| New pyrrole inhibitors of monoamine oxidase: synthesis, biological evaluation, and structural determinants of MAO-A and MAO-B selectivity G La Regina, R Silvestri, M Artico, A Lavecchia, E Novellino, O Befani, ... Journal of medicinal chemistry 50 (5), 922-931, 2007 | 143 | 2007 |
| Structure-based design, synthesis, and biological evaluation of conformationally restricted novel 2-alkylthio-6-[1-(2, 6-difluorophenyl) alkyl]-3, 4-dihydro-5-alkylpyrimidin-4 … A Mai, G Sbardella, M Artico, R Ragno, S Massa, E Novellino, G Greco, ... Journal of medicinal chemistry 44 (16), 2544-2554, 2001 | 138 | 2001 |
| Crystal structure of the peroxisome proliferator-activated receptor γ (PPARγ) ligand binding domain complexed with a novel partial agonist: a new region of the hydrophobic … R Montanari, F Saccoccia, E Scotti, M Crestani, C Godio, F Gilardi, ... Journal of medicinal chemistry 51 (24), 7768-7776, 2008 | 131 | 2008 |
| Characterizing the 1,4-Dihydropyridines Binding Interactions in the L-Type Ca2+ Channel: Model Construction and Docking Calculations S Cosconati, L Marinelli, A Lavecchia, E Novellino Journal of medicinal chemistry 50 (7), 1504-1513, 2007 | 131 | 2007 |
| Novel bifunctional quinolonyl diketo acid derivatives as HIV-1 integrase inhibitors: design, synthesis, biological activities, and mechanism of action R Di Santo, R Costi, A Roux, M Artico, A Lavecchia, L Marinelli, ... Journal of medicinal chemistry 49 (6), 1939-1945, 2006 | 125 | 2006 |
| Therapeutic targeting the cell division cycle 25 (CDC25) phosphatases in human acute myeloid leukemia—the possibility to target several kinases through inhibition of the … AK Brenner, H Reikvam, A Lavecchia, Ø Bruserud Molecules 19 (11), 18414-18447, 2014 | 104 | 2014 |
| Synthesis, pharmacological characterization, and docking analysis of a novel family of diarylisoxazoles as highly selective cyclooxygenase-1 (COX-1) inhibitors P Vitale, S Tacconelli, MG Perrone, P Malerba, L Simone, A Scilimati, ... Journal of Medicinal Chemistry 56 (11), 4277-4299, 2013 | 103 | 2013 |
| Structure−Activity Studies of the Melanocortin Peptides: Discovery of Potent and Selective Affinity Antagonists for the hMC3 and hMC4 Receptors P Grieco, A Lavecchia, M Cai, D Trivedi, D Weinberg, T MacNeil, ... Journal of medicinal chemistry 45 (24), 5287-5294, 2002 | 103 | 2002 |
| Structural basis for PPAR partial or full activation revealed by a novel ligand binding mode D Capelli, C Cerchia, R Montanari, F Loiodice, P Tortorella, A Laghezza, ... Scientific reports 6 (1), 34792, 2016 | 99 | 2016 |
| Thiazolidin-4-one formation. Mechanistic and synthetic aspects of the reaction of imines and mercaptoacetic acid under microwave and conventional heating A Bolognese, G Correale, M Manfra, A Lavecchia, E Novellino, V Barone Organic & biomolecular chemistry 2 (19), 2809-2813, 2004 | 98 | 2004 |
| CDC25 phosphatase inhibitors: an update A Lavecchia, C Di Giovanni, E Novellino Mini reviews in medicinal chemistry 12 (1), 62-73, 2012 | 97 | 2012 |
