Potential colchicine binding site inhibitors unraveled by virtual screening, molecular dynamics and MM/PBSA. - Leonardo Bruno Federico; Guilherme Martins Silva; Suzane Quintana Gomes; Isaque Antonio Galindo Francischini; Mariana Pegrucci Barcelos; Cleydson Breno Rodrigues dos Santos; Luciano T. Costa; Joaquín María Campos Rosa; Carlos Henrique Tomich de Paula da Silva (Comput. Biol. Medicine, 2021)

A molecular dynamics study of a fully zwitterionic copolymer/ionic liquid-based electrolyte: Li+ transport mechanisms and ionic interactions. - Tuanan C. Lourenço; Mahsa Ebadi; Matthew J. Panzer; Daniel Brandell; Luciano T. Costa (J. Comput. Chem., 2021)