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)

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)