Manuel A. Llanos

Publication Activity (10 Years)

Years Active: 2021-2023
Publications (10 Years): 7

Top Topics

Similarity Searching

Strengths And Weaknesses

Virtual Screening

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Manuel A. Llanos, Nicolas Enrique, Vega Esteban-López, Sebastian Scioli-Montoto, David Sánchez-Benito, María E. Ruiz, Veronica Milesi, Dolores E. López, Alan Talevi, Pedro Martín, Luciana Gavernet
A Combined Ligand- and Structure-Based Virtual Screening To Identify Novel NaV1.2 Blockers: In Vitro Patch Clamp Validation and In Vivo Anticonvulsant Activity. J. Chem. Inf. Model. 63 (22) (2023)
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
A combined ligand and target-based virtual screening strategy to repurpose drugs as putrescine uptake inhibitors with trypanocidal activity. J. Comput. Aided Mol. Des. 37 (2) (2023)
Melisa E. Gantner, Denis N. Prada Gori, Manuel A. Llanos, Alan Talevi, Andrea Angeli, Daniela Vullo, Claudiu T. Supuran, Luciana Gavernet
Identification of New Carbonic Anhydrase VII Inhibitors by Structure-Based Virtual Screening. J. Chem. Inf. Model. 62 (19) (2022)
Denis N. Prada Gori, Manuel A. Llanos, Carolina L. Bellera, Alan Talevi, Lucas N. Alberca
iRaPCA and SOMoC: Development and Validation of Web Applications for New Approaches for the Clustering of Small Molecules. J. Chem. Inf. Model. 62 (12) (2022)
Manuel A. Llanos, Clara Ventura, Pedro Martín, Nicolas Enrique, Juan I. Felice, Luciana Gavernet, Veronica Milesi
Novel Dimeric hHv1 Model and Structural Bioinformatic Analysis Reveal an ATP-Binding Site Resulting in a Channel Activating Effect. J. Chem. Inf. Model. 62 (13) (2022)
Manuel A. Llanos, Nicolas Enrique, María L. Sbaraglini, Federico M. Garofalo, Alan Talevi, Luciana Gavernet, Pedro Martín
. J. Chem. Inf. Model. 62 (12) (2022)
Manuel A. Llanos, Melisa E. Gantner, Santiago Rodriguez, Lucas N. Alberca, Carolina L. Bellera, Alan Talevi, Luciana Gavernet
Strengths and Weaknesses of Docking Simulations in the SARS-CoV-2 Era: the Main Protease (Mpro) Case Study. J. Chem. Inf. Model. 61 (8) (2021)