| SARS-CoV-2 infects the human kidney and drives fibrosis in kidney organoids J Jansen, KC Reimer, JS Nagai, FS Varghese, GJ Overheul, M de Beer, ... Cell stem cell 29 (2), 217-231. e8, 2022 | 213 | 2022 |
| Virtual screening approach for the identification of new Rac1 inhibitors N Ferri, A Corsini, P Bottino, F Clerici, A Contini Journal of medicinal chemistry 52 (14), 4087-4090, 2009 | 126 | 2009 |
| Biocatalytic Dynamic Kinetic Resolution for the Synthesis of Atropisomeric Biaryl N‐Oxide Lewis Base Catalysts S Staniland, RW Adams, JJW McDouall, I Maffucci, A Contini, ... Angewandte Chemie 128 (36), 10913-10917, 2016 | 105 | 2016 |
| Explicit ligand hydration shells improve the correlation between MM-PB/GBSA binding energies and experimental activities I Maffucci, A Contini Journal of Chemical Theory and Computation 9 (6), 2706-2717, 2013 | 86 | 2013 |
| Virtual screening of an FDA approved drugs database on two COVID-19 coronavirus proteins A Contini | 75 | 2020 |
| Improved computation of protein–protein relative binding energies with the Nwat-MMGBSA method I Maffucci, A Contini Journal of chemical information and modeling 56 (9), 1692-1704, 2016 | 73 | 2016 |
| An efficient implementation of the Nwat-MMGBSA method to rescore docking results in medium-throughput virtual screenings I Maffucci, X Hu, V Fumagalli, A Contini Frontiers in chemistry 6, 43, 2018 | 70 | 2018 |
| Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors ML Boby, D Fearon, M Ferla, M Filep, L Koekemoer, MC Robinson, ... Science 382 (6671), eabo7201, 2023 | 68 | 2023 |
| In silico drug repurposing for SARS-CoV-2 main proteinase and spike proteins I Maffucci, A Contini Journal of Proteome Research 19 (11), 4637-4648, 2020 | 68 | 2020 |
| SAR and QSAR study on 2-aminothiazole derivatives, modulators of transcriptional repression in Huntington’s disease S Leone, C Mutti, A Kazantsev, M Sturlese, S Moro, E Cattaneo, ... Bioorganic & medicinal chemistry 16 (10), 5695-5703, 2008 | 62 | 2008 |
| Synthesis and “double-faced” antioxidant activity of polyhydroxylated 4-thiaflavans S Menichetti, MC Aversa, F Cimino, A Contini, C Viglianisi, A Tomaino Organic & Biomolecular Chemistry 3 (16), 3066-3072, 2005 | 58 | 2005 |
| COVID moonshot: open science discovery of SARS-CoV-2 main protease inhibitors by combining crowdsourcing, high-throughput experiments, computational simulations, and machine … H Achdout, A Aimon, E Bar-David, GM Morris BioRxiv, 2020 | 55 | 2020 |
| Binding of the repressor complex REST‐mSIN 3b by small molecules restores neuronal gene transcription in Huntington's disease models P Conforti, C Zuccato, G Gaudenzi, A Ieraci, S Camnasio, NJ Buckley, ... Journal of Neurochemistry 127 (1), 22-35, 2013 | 55 | 2013 |
| β-Hairpin mimics containing a piperidine–pyrrolidine scaffold modulate the β-amyloid aggregation process preserving the monomer species S Pellegrino, N Tonali, E Erba, J Kaffy, M Taverna, A Contini, M Taylor, ... Chemical science 8 (2), 1295-1302, 2017 | 52 | 2017 |
| An updated test of AMBER force fields and implicit solvent models in predicting the secondary structure of helical, β-hairpin, and intrinsically disordered peptides I Maffucci, A Contini Journal of chemical theory and computation 12 (2), 714-727, 2016 | 46 | 2016 |
| A tendril perversion in a helical oligomer: trapping and characterizing a mobile screw-sense reversal M Tomsett, I Maffucci, BAF Le Bailly, L Byrne, SM Bijvoets, MG Lizio, ... Chemical science 8 (4), 3007-3018, 2017 | 43 | 2017 |
| [2 + 4] and [4 + 2] Cycloadditions of o-Thioquinones with 1,3-Dienes: A Computational Study A Contini, S Leone, S Menichetti, C Viglianisi, P Trimarco The Journal of Organic Chemistry 71 (15), 5507-5514, 2006 | 41 | 2006 |
| Open Science Discovery of Potent Non-Covalent SARS-CoV-2 Main Protease Inhibitors COVID Moonshot Consortium, H Achdout, A Aimon, DS Alonzi, R Arbon, ... BioRxiv, 2020.10. 29.339317, 2020 | 40 | 2020 |
| 2-Amino-3-(phenylsulfanyl) norbornane-2-carboxylate: an appealing scaffold for the Design of Rac1–Tiam1 protein–protein interaction inhibitors A Ruffoni, N Ferri, SK Bernini, C Ricci, A Corsini, I Maffucci, F Clerici, ... Journal of medicinal chemistry 57 (7), 2953-2962, 2014 | 40 | 2014 |
| Turning REST/NRSF dysfunction in Huntington's disease into a pharmaceutical target D Rigamonti, C Mutti, C Zuccato, E Cattaneo, A Contini Current pharmaceutical design 15 (34), 3958-3967, 2009 | 38 | 2009 |
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