Molecular dynamics, flexible docking, virtual screening, ADMET predictions, and molecular interaction field studies to design novel potential MAO-B inhibitors.
Braun GH, Jorge DM, Ramos HP, Alves RM, da Silva VB, Giuliatti S, Sampaio SV, Taft CA, Silva CH, J Biomol Struct Dyn, 2008 Feb - link

Use of virtual screening, flexible docking, and molecular interaction fields to design novel HMG-CoA reductase inhibitors for the treatment of hypercholesterolemia.
da Silva VB, Taft CA, Silva CH, J Phys Chem A, 2008 Mar 13 - link