Evaluating the Performance of a Non-Bonded Cu(2+) Model Including Jahn−Teller Effect into the Binding of Tyrosinase Inhibitors

por Martins, Lucas Sousa, Lameira, Jerônimo, Kruger, Hendrik G., Alves, Cláudio Nahum, Silva, José Rogério A.
Publicado 2020

Computational Analysis of Triazole-Based Kojic Acid Analogs as Tyrosinase Inhibitors by Molecular Dynamics and Free Energy Calculations

por Martins, Lucas Sousa, Gonçalves, Reinaldo W. A., Moraes, Joana J. S., Alves, Cláudio Nahum, Silva, José Rogério A.
Publicado 2022

Computational insights for predicting the binding and selectivity of peptidomimetic plasmepsin IV inhibitors against cathepsin D

por Martins, Lucas Sousa, Kruger, Hendrik Gerhardus, Naicker, Tricia, Alves, Cláudio Nahum, Lameira, Jerônimo, Araújo Silva, José Rogério
Publicado 2022