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

Virtual screening, molecular interaction field, molecular dynamics, docking, density functional, and ADMET properties of novel AChE inhibitors in Alzheimer's disease.
da Silva CH, Carvalho I, Taft CA, J Biomol Struct Dyn, 2007 Jun - link

ADMET properties, database screening, molecular dynamics, density functional, and docking studies of novel potential anti-cancer compounds.
Silva CH, Taft CA, J Biomol Struct Dyn, 2006 Dec - link

Molecular modeling, docking and ADMET studies applied to the design of a novel hybrid for treatment of Alzheimer's disease.
da Silva CH, Campo VL, Carvalho I, Taft CA, J Mol Graph Model, 2006 Oct - link

Molecular dynamics, database screening, density functional and docking studies of novel RAR ligands in cancer chemotherapy.
Silva CH, Taft CA, Biophys Chem, 2005 Aug 22 - link

Density functional and docking studies of retinoids for cancer treatment.
Silva CH, Almeida P, Taft CA, J Mol Model, 2004 Feb - link