A successful virtual screening application: prediction of anticonvulsant activity in MES test of widely used pharmaceutical and food preservatives methylparaben and propylparaben. - Alan Talevi; Carolina L. Bellera; Eduardo A. Castro; Luis Bruno Blanch (J. Comput. Aided Mol. Des., 2007)

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)

Application of Computer-Aided Drug Repurposing in the Search of New Cruzipain Inhibitors: Discovery of Amiodarone and Bromocriptine Inhibitory Effects. - Carolina L. Bellera; Darío E. Balcazar; Lucas N. Alberca; Carlos A. Labriola; Alan Talevi; Carolina Carrillo (J. Chem. Inf. Model., 2013)

Discovery of novel polyamine analogs with anti-protozoal activity by computer guided drug repositioning. - Lucas N. Alberca; María L. Sbaraglini; Darío E. Balcazar; Laura Fraccaroli; Carolina Carrillo; Andrea Medeiros; Diego Benitez; Marcelo A. Comini; Alan Talevi (J. Comput. Aided Mol. Des., 2016)

Development and Validation of a Computational Model Ensemble for the Early Detection of BCRP/ABCG2 Substrates during the Drug Design Stage. - Melisa E. Gantner; Roxana N. Peroni; Juan F. Morales; María L. Villalba; María E. Ruiz; Alan Talevi (J. Chem. Inf. Model., 2017)

Application of target repositioning and in silico screening to exploit fatty acid binding proteins (FABPs) from Echinococcus multilocularis as possible drug targets. - Julián A. Bélgamo; Lucas N. Alberca; Jorge L. Pórfido; Franco N. Caram Romero; Santiago Rodriguez; Alan Talevi; Betina Córsico; Gisela R. Franchini (J. Comput. Aided Mol. Des., 2020)

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)

Tetracycline Derivatives Inhibit Plasmodial Cysteine Protease Falcipain-2 through Binding to a Distal Allosteric Site. - Jorge Enrique Hernández González; Lucas N. Alberca; Yordanka Masforrol González; Osvaldo Reyes Acosta; Alan Talevi; Emir Salas-Sarduy (J. Chem. Inf. Model., 2022)

iRaPCA and SOMoC: Development and Validation of Web Applications for New Approaches for the Clustering of Small Molecules. - Denis N. Prada Gori; Manuel A. Llanos; Carolina L. Bellera; Alan Talevi; Lucas N. Alberca (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)

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)