| 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 | 110 | 2021 |
| 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 | 61 | 2020 |
| 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 | 45 | 2021 |
| 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 | 44 | 2022 |
| 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 | 41 | 2022 |
| Identification of G-quadruplex DNA/RNA binders: Structure-based virtual screening and biophysical characterization R Rocca, F Moraca, G Costa, M Nadai, M Scalabrin, C Talarico, S Distinto, ... Biochimica et Biophysica Acta (BBA)-General Subjects 1861 (5), 1329-1340, 2017 | 37 | 2017 |
| A comprehensive mapping of the druggable cavities within the SARS-CoV-2 therapeutically relevant proteins by combining pocket and docking searches as implemented in pockets 2.0 S Gervasoni, G Vistoli, C Talarico, C Manelfi, AR Beccari, G Studer, ... International journal of molecular sciences 21 (14), 5152, 2020 | 33 | 2020 |
| Molecular recognition of a carboxy pyridostatin toward G‐quadruplex structures: Why does it prefer RNA? R Rocca, C Talarico, F Moraca, G Costa, I Romeo, F Ortuso, S Alcaro, ... Chemical Biology & Drug Design 90 (5), 919-925, 2017 | 31 | 2017 |
| Computer-based techniques for lead identification and optimization I: Basics A Maruca, FA Ambrosio, A Lupia, I Romeo, R Rocca, F Moraca, C Talarico, ... Physical Sciences Reviews 4 (6), 20180113, 2019 | 29 | 2019 |
| Novel natural non-nucleoside inhibitors of HIV-1 reverse transcriptase identified by shape-and structure-based virtual screening techniques G Costa, R Rocca, A Corona, N Grandi, F Moraca, I Romeo, C Talarico, ... European journal of medicinal chemistry 161, 1-10, 2019 | 28 | 2019 |
| Combining Molecular Dynamics and Docking Simulations to Develop Targeted Protocols for Performing Optimized Virtual Screening Campaigns on The hTRPM8 Channel C Talarico, S Gervasoni, C Manelfi, A Pedretti, G Vistoli, AR Beccari International Journal of Molecular Sciences 21 (7), 2256, 2020 | 22 | 2020 |
| The SARS-CoV-2 spike protein binds and modulates estrogen receptors O Solis, AR Beccari, D Iaconis, C Talarico, CA Ruiz-Bedoya, ... Science Advances 8 (48), eadd4150, 2022 | 21 | 2022 |
| SCoV2-MD: a database for the dynamics of the SARS-CoV-2 proteome and variant impact predictions M Torrens-Fontanals, A Peralta-García, C Talarico, R Guixà-González, ... Nucleic acids research 50 (D1), D858-D866, 2022 | 20 | 2022 |
| The Mu. Ta. Lig. Chemotheca: a community-populated molecular database for multi-target ligands identification and compound-repurposing F Ortuso, D Bagetta, A Maruca, C Talarico, ML Bolognesi, N Haider, ... Frontiers in Chemistry 6, 130, 2018 | 20 | 2018 |
| In Silico Identification of Piperidinyl-amine Derivatives as Novel Dual Binders of Oncogene c-myc/c-Kit G-quadruplexes R Rocca, F Moraca, G Costa, C Talarico, F Ortuso, S Da Ros, G Nicoletto, ... ACS Medicinal Chemistry Letters 9 (8), 848-853, 2018 | 19 | 2018 |
| Molecular modelling of epitopes recognized by neoplastic B lymphocytes in Chronic Lymphocytic Leukemia A Lupia, S Mimmi, E Iaccino, D Maisano, F Moraca, C Talarico, E Vecchio, ... European Journal of Medicinal Chemistry 185, 111838, 2020 | 18 | 2020 |
| A Comparative Docking Strategy to Identify Polyphenolic Derivatives as Promising Antineoplastic Binders of G‐quadruplex DNA c‐myc and bcl‐2 Sequences G Costa, R Rocca, F Moraca, C Talarico, I Romeo, F Ortuso, S Alcaro, ... Molecular Informatics 35 (8-9), 391-402, 2016 | 17 | 2016 |
| Computer-based techniques for lead identification and optimization II: Advanced search methods A Lupia, F Moraca, D Bagetta, A Maruca, FA Ambrosio, R Rocca, ... Physical Sciences Reviews 5 (5), 20180114, 2020 | 16 | 2020 |
| Pathway involving the N155H mutation in HIV-1 integrase leads to dolutegravir resistance I Malet, FA Ambrosio, F Subra, B Herrmann, H Leh, MC Bouger, A Artese, ... Journal of Antimicrobial Chemotherapy 73 (5), 1158-1166, 2018 | 16 | 2018 |
| “Molecular Anatomy”: a new multi-dimensional hierarchical scaffold analysis tool C Manelfi, M Gemei, C Talarico, C Cerchia, A Fava, F Lunghini, ... Journal of cheminformatics 13, 1-19, 2021 | 14 | 2021 |
