Development and Validation of a Computational Model Ensemble for the Early Detection of BCRP/ABCG2 Substrates during the Drug Design Stage von Gantner, Melisa E, Peroni, Roxana N, Morales, Juan F, Villalba, María L, Ruiz, María E, Talevi, Alan

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Potential biocide roles of violacein von Rivero Berti, Ignacio, Gantner, Melisa E., Rodriguez, Santiago, Islan, German A., Fávaro, Wagner J., Talevi, Alan, Castro, Guillermo R., Durán, Nelson

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

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

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Garbage in, garbage out: how reliable training data improved a virtual screening approach against SARS-CoV-2 MPro von Ruatta, Santiago M, Prada Gori, Denis N, Fló Díaz, Martín, Lorenzelli, Franca, Perelmuter, Karen, Alberca, Lucas N, Bellera, Carolina L, Medeiros, Andrea, López, Gloria V, Ingold, Mariana, Porcal, Williams, Dibello, Estefanía, Ihnatenko, Irina, Kunick, Conrad, Incerti, Marcelo, Luzardo, Martín, Colobbio, Maximiliano, Ramos, Juan Carlos, Manta, Eduardo, Minini, Lucía, Lavaggi, María Laura, Hernández, Paola, Šarlauskas, Jonas, Huerta García, César Sebastian, Castillo, Rafael, Hernández-Campos, Alicia, Ribaudo, Giovanni, Zagotto, Giuseppe, Carlucci, Renzo, Medrán, Noelia S, Labadie, Guillermo R, Martinez-Amezaga, Maitena, Delpiccolo, Carina M L, Mata, Ernesto G, Scarone, Laura, Posada, Laura, Serra, Gloria, Calogeropoulou, Theodora, Prousis, Kyriakos, Detsi, Anastasia, Cabrera, Mauricio, Alvarez, Guzmán, Aicardo, Adrián, Araújo, Verena, Chavarría, Cecilia, Mašič, Lucija Peterlin, Gantner, Melisa E, Llanos, Manuel A, Rodríguez, Santiago, Gavernet, Luciana, Park, Soonju, Heo, Jinyeong, Lee, Honggun, Paul Park, Kyu-Ho, Bollati-Fogolín, Mariela, Pritsch, Otto, Shum, David, Talevi, Alan, Comini, Marcelo A

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Recent Advances on Nanotechnology Applications to Cancer Drug Therapy von Carolina Bellera, Melisa E. Gantner, María E. Ruiz, Alan Talevi

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Development of Conformation Independent Computational Models for the Early Recognition of Breast Cancer Resistance Protein Substrates von Talevi, Alan, Ruiz, María Esperanza, Di Ianni, Mauricio Emiliano, Gantner, Melisa Edith, Bruno Blanch, Luis E.

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Discovering New Antiepileptic Drugs Addressing the Transporter Hypothesis of Refractory Epilepsy: Ligand-Based Approximations von Couyoupetrou, Manuel, Di Ianni, Mauricio, Gantner, Melisa, Pesce, Guido, Peroni, Roxana, Talevi, Alan, Bruno-Blanch, Luis E.

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