Investigation of Unprecedented Sites and Proposition of New Ligands for Programmed Cell Death Protein I through Molecular Dynamics with Probes and Virtual Screening. - Luca Andrade; Aline Albuquerque; Andrielly Santos-Costa; Disraeli Vasconcelos; Wilson Savino; Geraldo Rodrigues Sartori; João Herminio Martins Da Silva (J. Chem. Inf. Model., 2022)

Discovery of New Zika Protease and Polymerase Inhibitors through the Open Science Collaboration Project OpenZika. - Melina Mottin; Bruna Katiele de Paula Sousa; Nathalya Cristina de Moraes Roso Mesquita; Ketllyn Irene Zagato de Oliveira; Gabriela Dias Noske; Geraldo Rodrigues Sartori; Aline Albuquerque; Fabio Urbina; Ana C. Puhl; José Teófilo Moreira-Filho; Guilherme E. Souza; Rafael V. C. Guido; et al. (J. Chem. Inf. Model., 2022)

Integrated computational pipeline for advanced sampling-based investigation and alternative inhibition of the programmed cell death protein I pathway. - Luca Andrade; Aline Albuquerque; Andrielly Santos-Costa; Diego S. Almeida; Bruno Lopes De Sousa; João Herminio Martins Da Silva (Comput. Biol. Medicine, 2025)