Nanoparticles and bioactive materials against COVID-19 and its variants: Hints from a computational-materials design perspective. - Alexandre A. de Castro; Letícia C. Assis; Renan J. C. Appel; Elaine F. F. da Cunha; Eugenie Nepovimova; Kamil Kuca; Teodorico C. Ramalho; Felipe A. La Porta (Comput. Biol. Medicine, 2025)

In silico strategies for discovering and analyzing new molecules based on isocycloseram: Virtual screening, docking, molecular dynamics, MM/PBSA, and GABA receptor interactions. - Taináh M. R. Santos; Artur G. Nogueira; Antônio P. L. Mesquita; Alexandre A. de Castro; Teodorico C. Ramalho (Comput. Biol. Chem., 2026)