Strengths and weaknesses of docking simulations in the SARS-CoV-2 era: the main protease (Mpro) case study MA Llanos, ME Gantner, S Rodriguez, LN Alberca, CL Bellera, A Talevi, ... Journal of Chemical Information and Modeling 61 (8), 3758-3770, 2021 | 44 | 2021 |
Can drug repurposing strategies be the solution to the COVID-19 crisis? CL Bellera, M Llanos, ME Gantner, S Rodriguez, L Gavernet, M Comini, ... Expert Opinion on Drug Discovery, 2020 | 23 | 2020 |
Application of target repositioning and in silico screening to exploit fatty acid binding proteins (FABPs) from Echinococcus multilocularis as possible drug targets JA Bélgamo, LN Alberca, JL Pórfido, FNC Romero, S Rodriguez, A Talevi, ... Journal of Computer-Aided Molecular Design 34, 1275-1288, 2020 | 17 | 2020 |
LIDeB tools: A Latin American resource of freely available, open-source cheminformatics apps DNP Gori, LN Alberca, S Rodriguez, JI Alice, MA Llanos, CL Bellera, ... Artificial Intelligence in the Life Sciences 2, 100049, 2022 | 8 | 2022 |
Function of lipid binding proteins of parasitic helminths: still a long road GR Lombardo, J.F., Pórfido, J.L., Sisti, M.S., Giorello, A.N., Rodríguez,S ... Parasitology Research, 2022 | 7 | 2022 |
Garbage in, garbage out: how reliable training data improved a virtual screening approach against SARS-CoV-2 MPro SM Ruatta, DN Prada Gori, M Fló Díaz, F Lorenzelli, K Perelmuter, ... Frontiers in Pharmacology 14, 1193282, 2023 | 1 | 2023 |
Potential biocide roles of violacein IR Berti, ME Gantner, S Rodriguez, GA Islan, WJ Fávaro, A Talevi, ... Nanotechnology and nanoscience to manage SARS-CoV-2 variants of concern, 213, 2023 | | 2023 |
Structure-Based Binding Pocket Detection and Druggability Assessment S Rodríguez, JI Alice, CL Bellera, A Talevi. Drug Target Selection and Validation 1, 257, 2022 | | 2022 |