| 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 | 49 | 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 16 (6), 605-612, 2021 | 30 | 2021 |
| A structure-based approach towards the identification of novel antichagasic compounds: Trypanosoma cruzi carbonic anhydrase inhibitors MA Llanos, ML Sbaraglini, ML Villalba, MD Ruiz, C Carrillo, C Alba Soto, ... Journal of Enzyme Inhibition and Medicinal Chemistry 35 (1), 21-30, 2020 | 17 | 2020 |
| Citrus reticulata peel oil as an antiatherogenic agent: Hypolipogenic effect in hepatic cells, lipid storage decrease in foam cells, and prevention of LDL oxidation MA Castro, MA Llanos, BE Rodenak-Kladniew, L Gavernet, ME Galle, ... Nutrition, Metabolism and Cardiovascular Diseases 30 (9), 1590-1599, 2020 | 15 | 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 | 14 | 2022 |
| iRaPCA and SOMoC: Development and validation of web applications for new approaches for the clustering of small molecules DN Prada Gori, MA Llanos, CL Bellera, A Talevi, LN Alberca Journal of Chemical Information and Modeling 62 (12), 2987-2998, 2022 | 13 | 2022 |
| Structure-Based Virtual Screening Identifies Novobiocin, Montelukast, and Cinnarizine as TRPV1 Modulators with Anticonvulsant Activity In Vivo MA Llanos, N Enrique, ML Sbaraglini, FM Garofalo, A Talevi, L Gavernet, ... Journal of Chemical Information and Modeling 62 (12), 3008-3022, 2022 | 10 | 2022 |
| Point mutations affecting yeast prion propagation change the structure of its amyloid fibrils AI Sulatskaya, SA Bondarev, MI Sulatsky, NP Trubitsina, MV Belousov, ... Journal of Molecular Liquids 314, 113618, 2020 | 7 | 2020 |
| Identification of new carbonic anhydrase VII inhibitors by structure-based virtual screening ME Gantner, DN Prada Gori, MA Llanos, A Talevi, A Angeli, D Vullo, ... Journal of Chemical Information and Modeling 62 (19), 4760-4770, 2022 | 5 | 2022 |
| A Combined Ligand-and Structure-Based Virtual Screening To Identify Novel NaV1. 2 Blockers: In Vitro Patch Clamp Validation and In Vivo Anticonvulsant Activity MA Llanos, N Enrique, V Esteban-López, S Scioli-Montoto, ... Journal of Chemical Information and Modeling 63 (22), 7083-7096, 2023 | 4 | 2023 |
| A combined ligand and target-based virtual screening strategy to repurpose drugs as putrescine uptake inhibitors with trypanocidal activity MA Llanos, LN Alberca, MD Ruiz, ML Sbaraglini, C Miranda, ... Journal of Computer-Aided Molecular Design 37 (2), 75-90, 2023 | 4 | 2023 |
| Novel Dimeric hHv1 model and structural bioinformatic analysis reveal an ATP-binding site resulting in a channel activating effect MA Llanos, C Ventura, P Martín, N Enrique, JI Felice, L Gavernet, V Milesi Journal of Chemical Information and Modeling 62 (13), 3200-3212, 2022 | 4 | 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 | 3 | 2023 |
| Homology Modeling and Molecular Dynamics Simulations of Trypanosoma cruzi Phosphodiesterase b1 MA Llanos, LN Alberca, SCV Larrea, AC Schoijet, GD Alonso, CL Bellera, ... Chemistry & Biodiversity 19 (1), e202100712, 2022 | 3 | 2022 |
| Computational and synthetic target-based approaches to the discovery of novel anticonvulsant compounds ME Gantner, MA Llanos, FM Garofalo, ML Villalba, L Gavernet Current Medicinal Chemistry 28 (33), 6866-6894, 2021 | 3 | 2021 |
| CosolvKit: a versatile tool for cosolvent MD preparation and analysis N Bruciaferri, J Eberhardt, MA Llanos, JR Loeffler, M Holcomb, ... Journal of Chemical Information and Modeling 64 (21), 8227-8235, 2024 | 1 | 2024 |
| In Silico Screening Identification of Fatty Acids and Fatty Acid Derivatives with Antiseizure Activity: In Vitro and In Vivo Validation EM Barrionuevo, E Peralta, AM De Nardi, J Monat, MJ Fallico, MA Llanos, ... Pharmaceutics 16 (8), 996, 2024 | | 2024 |
| Pharmacological investigation of Trypanosoma cruzi phosphodiesterases as drug targets: Insight into target vulnerability AC Schoijet, AF Prego, SC Vilchez Larrea, M Llanos, LN Alberca, ... Universidad Nacional de Cuyo. Facultad de Ciencias Médicas, 2022 | | 2022 |
| A versatile CRISPR/Cas9 editing approach in Trypanosoma cruzi SC Vilchez Larrea, AF Prego, AC Schoijet, M Llanos, LN Alberca, ... Universidad Nacional de Cuyo, 2022 | | 2022 |
| Descubrimiento de nuevos anticonvulsivos que actúan mediante interacciones con canales iónicos MA Llanos Universidad Nacional de La Plata, 2022 | | 2022 |
Luciana GavernetProfesor e investigador de la Facultad de Ciencias Exactas, Universidad Nacional de La PlataVerified email at biol.unlp.edu.ar