Chemistry Reference
In-Depth Information
[12] Silva CHTP and Carvalho I. Molecular dynamics, docking, density functional and ADMET
studies of HIV-1 reverse transcriptase inhibitors. J. of Theoretical and Computationa
Chemistry 2006,5:579-586.
[13] da Silva VB, Andrioli WJ, Carvalho I, Taft CA and Silva CHTP. Computer-aided
molecular design of novel HMG-CoA reductase inhibitors for the treatment of
hypercholesterolemia. J. Theor. and Comput. Chem. 2007, 6:811-821.
[14]
Silva CHTP, Carvalho I and Taft CA. Virtual screening, molecular interaction field,
molecular dynamics docking, density functional and ADMET properties of novel AchE
inhibitors in Alzheimer's disease. J. of Biomolecular Structure & Dynamics. 2007, 24:515-
523.
[15]
Current Methods in Medicinal Chemistry and Biological Physics. 2007, Vol. 1, Editors
Carlton A. Taft and Carlos H. T. P. Silva, 2007, Research Signpost, Kerala, India
[16]
Braun GH, Jorge DMM, Ramos HP, Alves RM, Guilliati S, Sampaio SV, Taft and Silva
CHTP. Molecular dynamics, flexible docking, virtual screening. ADMET predictions and
molecular interaction field studies to design novel potential MAO-B inhibitors. J. of
Biomolecular structure & dynamics 2008, 25:347-355.
[17]
da Silva VB, Kawano DF, Gomes AS, Carvalho I, Taft CA, Silva CHTP. Molecular
dynamics, density functional, ADMET predictions, virtual screening and molecular
interaction Field studies for identification and evaluation of novel potential CDK2
inhibitors in cancer therapy. J. Phys. Chem. A 2008, 112:8902-8910.
[18]
Silva CHTP, DA Silva VB and Taft CA. Use of virtual screening, flexible docking and
molecular interaction fields to design novel HMG-CoA reductase inhibitors for the
treatment of hypercholesterolemia. J. Phys. Chem. A 2008, 112:2007-2011.
[19]
Silva CHTP, da Silva VB and Taft CA. Pharmacokinetic and pharmacodynamic predictions
of novel potential HIV-1 integrase inhibitors. Drug metabolism letters 2008, 2:256-260.
[20]
Current Methods in Medicinal Chemistry and Biological Physics. 2008, Vol. 2. Editors
Carlton A. Taft and Carlos H. T. P. Silva, Research Signpost, Kerala, India.
[21]
Taft CA, Silva CHTP, Invited Mini Review: Current Topics in Computer-aided Drug
Design, Journal of Pharmaceutical Sciences, 2008, 97: 89-1098
[22]
Hage-Mellim LIS, Silva CHTP, Semighini EP, Taft CA and Sampaio SV. Computer-aided
drug design of novel PLA
2
inhibitor candidates for treatment of snakebite. J. of
Biomolecular Structure & dynamics 2009, 27:27-36.
[23]
Silva CHTP, da Silva VB, Resende J, Rodrigues PF, Bononi FC, Benevenuto CG and Taft
CA, Computer-aided drug design and ADMET predictions for identification and evaluation
of novel potential farnesyltransferase inhibitors in cancer therapy J. of Molecular Graphics
and Modeling. 2010, 28:513-523.
[24]
Recent developments in Medicinal Chemistry, 2010, Editors: Carlton A. Taft and Carlos H.
T. P. Silva, Bentham Science Publishers (UAE).
[25]
Silva CHTP, Taft CA. Stoichiometry of amino acids drives protein folding? Journal of
Biomolecular Structure & Dynamics, 2010, 28:635- 636.
[26]
Semighini EP, Resende J, Andrade P, Morais PAB, Carvalho I, Taft CA, Silva CHTP.
Using Computer-aided Drug Design and Medicinal Chemistry Strategies in the Fight
Against Diabetes. Journal of Biomolecular Structure & Dynamics, 2011, 28: 787-796,
2011.
[27]
Semighini EP, Taft CA, Silva CHTP, Homology modeling, virtual screening and molecular
dynamics of the MARK3 KA1 domain for cancer drug design. Molecular Simulation, 2011,
37:1199-1219.
