Structure-based virtual screening and discovery of New PPARδ/γ dual agonist and PPARδ and γ agonists. by Vinicius G Maltarollo, Marie Togashi, Alessandro S Nascimento, Kathia M Honorio

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Transfer and Multi-task Learning in QSAR Modeling: Advances and Challenges by Rodolfo S. Simões, Vinicius G. Maltarollo, Patricia R. Oliveira, Kathia M. Honorio, Kathia M. Honorio

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Structure-Based Virtual Screening, Molecular Dynamics and Binding Free Energy Calculations of Hit Candidates as ALK-5 Inhibitors by Sheila C. Araujo, Vinicius G. Maltarollo, Michell O. Almeida, Leonardo L. G. Ferreira, Adriano D. Andricopulo, Kathia M. Honorio

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Advances and Perspectives in Applying Deep Learning for Drug Design and Discovery by Celio F. Lipinski, Vinicius G. Maltarollo, Patricia R. Oliveira, Alberico B. F. da Silva, Kathia Maria Honorio, Kathia Maria Honorio

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Molecular features related to HIV integrase inhibition obtained from structure- and ligand-based approaches. by Luciana L de Carvalho, Vinícius G Maltarollo, Emmanuela Ferreira de Lima, Karen C Weber, Kathia M Honorio, Albérico B F da Silva

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Antibacterial activity of synthetic 1,3‐bis(aryloxy)propan‐2‐amines against Gram‐positive bacteria by Mateus S. M. Serafim, Stefânia N. Lavorato, Thales Kronenberger, Yamara V. Sousa, Graziele P. Oliveira, Simone G. dos Santos, Erna G. Kroon, Vinícius G. Maltarollo, Ricardo J. Alves, Bruno E. F. Mota

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Trends and challenges in chemoinformatics research in Latin America by Jazmín Miranda-Salas, Carlos Peña-Varas, Ignacio Valenzuela Martínez, Dionisio A. Olmedo, William J. Zamora, Miguel Angel Chávez-Fumagalli, Daniela Q. Azevedo, Rachel Oliveira Castilho, Vinicius G. Maltarollo, David Ramírez, José L. Medina-Franco

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