Alves CN - Search Results

1

Virtual Screening and Molecular Dynamics Simulations from a Bank of Molecules of the Amazon Region Against Functional NS3-4A Protease-Helicase Enzyme of Hepatitis C Virus.

Pinheiro AS, Duarte JB, Alves CN, de Molfetta FA. Pinheiro AS, et al. Among authors: alves cn. Appl Biochem Biotechnol. 2015 Jul;176(6):1709-21. doi: 10.1007/s12010-015-1672-5. Epub 2015 May 26. Appl Biochem Biotechnol. 2015. PMID: 26009474

2

A quantum mechanics/molecular mechanics study of the protein-ligand interaction for inhibitors of HIV-1 integrase.

Alves CN, Martí S, Castillo R, Andrés J, Moliner V, Tuñón I, Silla E. Alves CN, et al. Chemistry. 2007;13(27):7715-24. doi: 10.1002/chem.200700040. Chemistry. 2007. PMID: 17570717

3

Computational analysis of aspartic protease plasmepsin II complexed with EH58 inhibitor: a QM/MM MD study.

de Farias Silva N, Lameira J, Alves CN. de Farias Silva N, et al. Among authors: alves cn. J Mol Model. 2011 Oct;17(10):2631-8. doi: 10.1007/s00894-011-0963-1. Epub 2011 Jan 25. J Mol Model. 2011. PMID: 21264482

4

Enzyme molecular mechanism as a starting point to design new inhibitors: a theoretical study of O-GlcNAcase.

Lameira J, Alves CN, Tuñón I, Martí S, Moliner V. Lameira J, et al. Among authors: alves cn. J Phys Chem B. 2011 May 26;115(20):6764-75. doi: 10.1021/jp202079e. Epub 2011 May 4. J Phys Chem B. 2011. PMID: 21542586

5

Homology modeling, molecular dynamics and QM/MM study of the regulatory protein PhoP from Corynebacterium pseudotuberculosis.

Moraes G, Azevedo V, Costa M, Miyoshi A, Silva A, da Silva V, de Oliveira D, Teixeira MF, Lameira J, Alves CN. Moraes G, et al. Among authors: alves cn. J Mol Model. 2012 Mar;18(3):1219-27. doi: 10.1007/s00894-011-1145-x. Epub 2011 Jun 24. J Mol Model. 2012. PMID: 21701810

6

Molecular modeling of T. rangeli, T. brucei gambiense, and T. evansi sialidases in complex with the DANA inhibitor.

Lima AH, Souza PR, Alencar N, Lameira J, Govender T, Kruger HG, Maguire GE, Alves CN. Lima AH, et al. Among authors: alves cn. Chem Biol Drug Des. 2012 Jul;80(1):114-20. doi: 10.1111/j.1747-0285.2012.01380.x. Epub 2012 Apr 13. Chem Biol Drug Des. 2012. PMID: 22416952

7

Computational analysis of human OGA structure in complex with PUGNAc and NAG-thiazoline derivatives.

de Alencar NA, Sousa PR, Silva JR, Lameira J, Alves CN, Martí S, Moliner V. de Alencar NA, et al. Among authors: alves cn. J Chem Inf Model. 2012 Oct 22;52(10):2775-83. doi: 10.1021/ci2006005. Epub 2012 Sep 18. J Chem Inf Model. 2012. PMID: 22937904

8

Protein-ligand interaction study of CpOGA in complex with GlcNAcstatin.

Sousa PR, de Alencar NA, Lima AH, Lameira J, Alves CN. Sousa PR, et al. Among authors: alves cn. Chem Biol Drug Des. 2013 Feb;81(2):284-90. doi: 10.1111/cbdd.12078. Epub 2012 Nov 27. Chem Biol Drug Des. 2013. PMID: 23066949

9

The catalytic mechanism of glyceraldehyde 3-phosphate dehydrogenase from Trypanosoma cruzi elucidated via the QM/MM approach.

Reis M, Alves CN, Lameira J, Tuñón I, Martí S, Moliner V. Reis M, et al. Among authors: alves cn. Phys Chem Chem Phys. 2013 Mar 21;15(11):3772-85. doi: 10.1039/c3cp43968b. Phys Chem Chem Phys. 2013. PMID: 23389436 Free article.

10

Analysis of the structure of calpain-10 and its interaction with the protease inhibitor SNJ-1715.

da Silva RC, de Alencar NA, Alves CN, Lameira J. da Silva RC, et al. Among authors: alves cn. Comput Biol Med. 2013 Oct;43(10):1334-40. doi: 10.1016/j.compbiomed.2013.07.010. Epub 2013 Jul 17. Comput Biol Med. 2013. PMID: 24034724 Free article.

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