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2020 – today
- 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)- 2022
- [j6]Jorge Enrique Hernández González, Lucas N. Alberca, Yordanka Masforrol González, Osvaldo Reyes Acosta, Alan Talevi, Emir Salas-Sarduy:
Tetracycline Derivatives Inhibit Plasmodial Cysteine Protease Falcipain-2 through Binding to a Distal Allosteric Site. J. Chem. Inf. Model. 62(1): 159-175 (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) - 2021
- [j4]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) - 2020
- [j3]Julián A. Bélgamo, Lucas N. Alberca, Jorge L. Pórfido, Franco N. Caram Romero, Santiago Rodriguez, Alan Talevi, Betina Córsico, Gisela R. Franchini:
Application of target repositioning and in silico screening to exploit fatty acid binding proteins (FABPs) from Echinococcus multilocularis as possible drug targets. J. Comput. Aided Mol. Des. 34(12): 1275-1288 (2020)
2010 – 2019
- 2016
- [j2]Lucas N. Alberca, María L. Sbaraglini, Darío E. Balcazar, Laura Fraccaroli, Carolina Carrillo, Andrea Medeiros, Diego Benitez, Marcelo A. Comini, Alan Talevi:
Discovery of novel polyamine analogs with anti-protozoal activity by computer guided drug repositioning. J. Comput. Aided Mol. Des. 30(4): 305-321 (2016) - 2013
- [j1]Carolina L. Bellera, Darío E. Balcazar, Lucas N. Alberca, Carlos A. Labriola, Alan Talevi, Carolina Carrillo:
Application of Computer-Aided Drug Repurposing in the Search of New Cruzipain Inhibitors: Discovery of Amiodarone and Bromocriptine Inhibitory Effects. J. Chem. Inf. Model. 53(9): 2402-2408 (2013)
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