Affinity of Sulfamates and Sulfamides to Carbonic Anhydrase II Isoform: Experimental and Molecular Modeling Approaches. - Luciana Gavernet; Jose L. Gonzalez Funes; Luis Bruno Blanch; Guillermina Estiu; Alfonso Maresca; Claudiu T. Supuran (J. Chem. Inf. Model., 2010)

Several New Diverse Anticonvulsant Agents Discovered in a Virtual Screening Campaign Aimed at Novel Antiepileptic Drugs to Treat Refractory Epilepsy. - Mauricio E. Di Ianni; Andrea V. Enrique; Pablo H. Palestro; Luciana Gavernet; Alan Talevi; Luis Bruno Blanch (J. Chem. Inf. Model., 2012)

Searching for New Leads To Treat Epilepsy: Target-Based Virtual Screening for the Discovery of Anticonvulsant Agents. - Pablo H. Palestro; Nicolas Enrique; Sofia Goicoechea; María L. Villalba; Laureano L. Sabatier; Pedro Martín; Verónica Milesi; Luis Bruno Blanch; Luciana Gavernet (J. Chem. Inf. Model., 2018)

Strengths and Weaknesses of Docking Simulations in the SARS-CoV-2 Era: the Main Protease (Mpro) Case Study. - Manuel A. Llanos; Melisa E. Gantner; Santiago Rodriguez; Lucas N. Alberca; Carolina L. Bellera; Alan Talevi; Luciana Gavernet (J. Chem. Inf. Model., 2021)

Identification of New Carbonic Anhydrase VII Inhibitors by Structure-Based Virtual Screening. - Melisa E. Gantner; Denis N. Prada Gori; Manuel A. Llanos; Alan Talevi; Andrea Angeli; Daniela Vullo; Claudiu T. Supuran; Luciana Gavernet (J. Chem. Inf. Model., 2022)

Structure-Based Virtual Screening Identifies Novobiocin, Montelukast, and Cinnarizine as TRPV1 Modulators with Anticonvulsant Activity In Vivo. - Manuel A. Llanos; Nicolas Enrique; María L. Sbaraglini; Federico M. Garofalo; Alan Talevi; Luciana Gavernet; Pedro Martín (J. Chem. Inf. Model., 2022)

Novel Dimeric hHv1 Model and Structural Bioinformatic Analysis Reveal an ATP-Binding Site Resulting in a Channel Activating Effect. - Manuel A. Llanos; Clara Ventura; Pedro Martín; Nicolas Enrique; Juan I. Felice; Luciana Gavernet; Verónica Milesi (J. Chem. Inf. Model., 2022)

A combined ligand and target-based virtual screening strategy to repurpose drugs as putrescine uptake inhibitors with trypanocidal activity. - Manuel A. Llanos; Lucas N. Alberca; María D. Ruiz; María L. Sbaraglini; Cristian Miranda; Agustina Pino-Martinez; Laura Fraccaroli; Carolina Carrillo; Catalina D. Alba Soto; Luciana Gavernet; Alan Talevi (J. Comput. Aided Mol. Des., 2023)

A Combined Ligand- and Structure-Based Virtual Screening To Identify Novel NaV1.2 Blockers: In Vitro Patch Clamp Validation and In Vivo Anticonvulsant Activity. - Manuel A. Llanos; Nicolas Enrique; Vega Esteban-López; Sebastian Scioli-Montoto; David Sánchez-Benito; María E. Ruiz; Verónica Milesi; Dolores E. López; Alan Talevi; Pedro Martín; Luciana Gavernet (J. Chem. Inf. Model., 2023)

Discovery of Trypanosoma cruzi Carbonic Anhydrase Inhibitors by a Combination of Ligand- and Structure-Based Virtual Screening. - Denis N. Prada Gori; Emilia M. Barrionuevo; Lucas N. Alberca; María L. Sbaraglini; Manuel A. Llanos; Simone Giovannuzzi; Fabrizio Carta; Matías I. Marchetto; Claudiu T. Supuran; Catalina D. Alba Soto; Luciana Gavernet; Alan Talevi (J. Chem. Inf. Model., 2025)