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ORCIDManuel A. Llanos
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2020 – today
- 2024
[j8]Niccolò Bruciaferri, Jérôme Eberhardt, Manuel A. Llanos
, Johannes R. Loeffler, Matthew Holcomb, Monica L. Fernández-Quintero, Diogo Santos-Martins, Andrew B. Ward, Stefano Forli:
CosolvKit: a Versatile Tool for Cosolvent MD Preparation and Analysis. J. Chem. Inf. Model. 64(21): 8227-8235 (2024)- 2023
- [j7]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): 75-90 (2023) - [j6]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:
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): 7083-7096 (2023) - 2022
- [j5]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): 2987-2998 (2022) - [j4]Manuel A. Llanos, Nicolas Enrique, María L. Sbaraglini, Federico M. Garofalo, Alan Talevi, Luciana Gavernet, Pedro Martín:
Structure-Based Virtual Screening Identifies Novobiocin, Montelukast, and Cinnarizine as TRPV1 Modulators with Anticonvulsant Activity In Vivo. J. Chem. Inf. Model. 62(12): 3008-3022 (2022) - [j3]Manuel A. Llanos, Clara Ventura, Pedro Martín, Nicolas Enrique, Juan I. Felice, Luciana Gavernet, Verónica 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): 3200-3212 (2022) - [j2]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): 4760-4770 (2022) - 2021
- [j1]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): 3758-3770 (2021)
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