| X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease S Günther, PYA Reinke, Y Fernández-García, J Lieske, TJ Lane, HM Ginn, ... Science 372 (6542), 642-646, 2021 | 281 | 2021 |
| ELR+ CXC chemokines and their receptors (CXC chemokine receptor 1 and CXC chemokine receptor 2) as new therapeutic targets C Bizzarri, AR Beccari, R Bertini, MR Cavicchia, S Giorgini, M Allegretti Pharmacology & therapeutics 112 (1), 139-149, 2006 | 271 | 2006 |
| Targeting SARS-CoV-2 proteases and polymerase for COVID-19 treatment: state of the art and future opportunities R Cannalire, C Cerchia, AR Beccari, FS Di Leva, V Summa Journal of medicinal chemistry 65 (4), 2716-2746, 2020 | 184 | 2020 |
| Identification of inhibitors of SARS-CoV-2 3CL-pro enzymatic activity using a small molecule in vitro repurposing screen M Kuzikov, E Costanzi, J Reinshagen, F Esposito, L Vangeel, M Wolf, ... ACS pharmacology & translational science 4 (3), 1096-1110, 2021 | 117 | 2021 |
| Design of noncompetitive interleukin-8 inhibitors acting on CXCR1 and CXCR2 A Moriconi, MC Cesta, MN Cervellera, A Aramini, S Coniglio, S Colagioia, ... Journal of medicinal chemistry 50 (17), 3984-4002, 2007 | 112 | 2007 |
| Targeting C5a: recent advances in drug discovery M Allegretti, A Moriconi, AR Beccari, RD Bitondo, C Bizzarri, R Bertini, ... Current medicinal chemistry 12 (2), 217-236, 2005 | 104 | 2005 |
| Combining molecular modeling with experimental methodologies: mechanism of membrane permeation and accumulation of ofloxacin M Fresta, S Guccione, AR Beccari, PM Furneri, G Puglisi Bioorganic & medicinal chemistry 10 (12), 3871-3889, 2002 | 103 | 2002 |
| PARP1-produced poly-ADP-ribose causes the PARP12 translocation to stress granules and impairment of Golgi complex functions G Catara, G Grimaldi, L Schembri, D Spano, G Turacchio, M Lo Monte, ... Scientific reports 7 (1), 14035, 2017 | 83 | 2017 |
| Targeting the minor pocket of C5aR for the rational design of an oral allosteric inhibitor for inflammatory and neuropathic pain relief A Moriconi, TM Cunha, GR Souza, AH Lopes, FQ Cunha, VL Carneiro, ... Proceedings of the National Academy of Sciences 111 (47), 16937-16942, 2014 | 82 | 2014 |
| Receptor binding mode and pharmacological characterization of a potent and selective dual CXCR1/CXCR2 non‐competitive allosteric inhibitor R Bertini, LS Barcelos, AR Beccari, B Cavalieri, A Moriconi, C Bizzarri, ... British journal of pharmacology 165 (2), 436-454, 2012 | 78 | 2012 |
| SARS-CoV-2 entry inhibitors: Small molecules and peptides targeting virus or host cells R Cannalire, I Stefanelli, C Cerchia, AR Beccari, S Pelliccia, V Summa International journal of molecular sciences 21 (16), 5707, 2020 | 77 | 2020 |
| LiGen: a high performance workflow for chemistry driven de novo design AR Beccari, C Cavazzoni, C Beato, G Costantino Journal of chemical information and modeling 53 (6), 1518-1527, 2013 | 69 | 2013 |
| Computational studies of SARS-CoV-2 3CLpro: Insights from MD simulations A Grottesi, N Bešker, A Emerson, C Manelfi, AR Beccari, F Frigerio, ... International journal of molecular sciences 21 (15), 5346, 2020 | 65 | 2020 |
| Auto-regulation of secretory flux by sensing and responding to the folded cargo protein load in the endoplasmic reticulum A Subramanian, A Capalbo, NR Iyengar, R Rizzo, A di Campli, ... Cell 176 (6), 1461-1476. e23, 2019 | 59 | 2019 |
| Natural compounds inhibit SARS-CoV-2 nsp13 unwinding and ATPase enzyme activities A Corona, K Wycisk, C Talarico, C Manelfi, J Milia, R Cannalire, ... ACS pharmacology & translational science 5 (4), 226-239, 2022 | 50 | 2022 |
| Molecular mechanism and functional role of brefeldin A-mediated ADP-ribosylation of CtBP1/BARS A Colanzi, G Grimaldi, G Catara, C Valente, C Cericola, P Liberali, ... Proceedings of the National Academy of Sciences 110 (24), 9794-9799, 2013 | 48 | 2013 |
| A blueprint for high affinity SARS-CoV-2 Mpro inhibitors from activity-based compound library screening guided by analysis of protein dynamics J Gossen, S Albani, A Hanke, BP Joseph, C Bergh, M Kuzikov, E Costanzi, ... ACS pharmacology & translational science 4 (3), 1079-1095, 2021 | 46 | 2021 |
| The ANTAREX approach to autotuning and adaptivity for energy efficient HPC systems C Silvano, G Agosta, S Cherubin, D Gadioli, G Palermo, A Bartolini, ... Proceedings of the ACM International Conference on Computing Frontiers, 288-293, 2016 | 45 | 2016 |
| Repurposing the estrogen receptor modulator raloxifene to treat SARS-CoV-2 infection M Allegretti, MC Cesta, M Zippoli, A Beccari, C Talarico, F Mantelli, ... Cell Death & Differentiation 29 (1), 156-166, 2022 | 42 | 2022 |
| Allosteric inhibitors of chemoattractant receptors: opportunities and pitfalls M Allegretti, R Bertini, C Bizzarri, A Beccari, A Mantovani, M Locati Trends in pharmacological sciences 29 (6), 280-286, 2008 | 40 | 2008 |
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