Pascutti PG - Search Results

1

Molecular dynamics simulations of peptide inhibitors complexed with Trypanosoma cruzi trypanothione reductase.

Silva Da Rocha Pita S, Batista PR, Albuquerque MG, Pascutti PG. Silva Da Rocha Pita S, et al. Among authors: pascutti pg. Chem Biol Drug Des. 2012 Oct;80(4):561-71. doi: 10.1111/j.1747-0285.2012.01429.x. Epub 2012 Jul 18. Chem Biol Drug Des. 2012. PMID: 22702225

2

Molecular dynamics simulations applied to the study of subtypes of HIV-1 protease common to Brazil, Africa, and Asia.

Batista PR, Wilter A, Durham EH, Pascutti PG. Batista PR, et al. Among authors: pascutti pg. Cell Biochem Biophys. 2006;44(3):395-404. doi: 10.1385/CBB:44:3:395. Cell Biochem Biophys. 2006. PMID: 16679526

3

Predicting functional residues in Plasmodium falciparum plasmepsins by combining sequence and structural analysis with molecular dynamics simulations.

Valiente PA, Batista PR, Pupo A, Pons T, Valencia A, Pascutti PG. Valiente PA, et al. Among authors: pascutti pg. Proteins. 2008 Nov 1;73(2):440-57. doi: 10.1002/prot.22068. Proteins. 2008. PMID: 18442137

4

Consensus modes, a robust description of protein collective motions from multiple-minima normal mode analysis--application to the HIV-1 protease.

Batista PR, Robert CH, Maréchal JD, Hamida-Rebaï MB, Pascutti PG, Bisch PM, Perahia D. Batista PR, et al. Among authors: pascutti pg. Phys Chem Chem Phys. 2010 Mar 28;12(12):2850-9. doi: 10.1039/b919148h. Epub 2010 Feb 1. Phys Chem Chem Phys. 2010. PMID: 20449375

5

Understanding the HIV-1 protease nelfinavir resistance mutation D30N in subtypes B and C through molecular dynamics simulations.

Soares RO, Batista PR, Costa MG, Dardenne LE, Pascutti PG, Soares MA. Soares RO, et al. Among authors: pascutti pg. J Mol Graph Model. 2010 Sep;29(2):137-47. doi: 10.1016/j.jmgm.2010.05.007. Epub 2010 Jun 11. J Mol Graph Model. 2010. PMID: 20541446

6

New parameterization approaches of the LIE method to improve free energy calculations of PlmII-Inhibitors complexes.

Valiente PA, Gil A, Batista PR, Caffarena ER, Pons T, Pascutti PG. Valiente PA, et al. Among authors: pascutti pg. J Comput Chem. 2010 Nov 30;31(15):2723-34. doi: 10.1002/jcc.21566. J Comput Chem. 2010. PMID: 20839299

7

How does heparin prevent the pH inactivation of cathepsin B? Allosteric mechanism elucidated by docking and molecular dynamics.

Costa MG, Batista PR, Shida CS, Robert CH, Bisch PM, Pascutti PG. Costa MG, et al. Among authors: pascutti pg. BMC Genomics. 2010 Dec 22;11 Suppl 5(Suppl 5):S5. doi: 10.1186/1471-2164-11-S5-S5. BMC Genomics. 2010. PMID: 21210971 Free PMC article.

8

High temperatures enhance cooperative motions between CBM and catalytic domains of a thermostable cellulase: mechanism insights from essential dynamics.

Batista PR, Costa MG, Pascutti PG, Bisch PM, de Souza W. Batista PR, et al. Among authors: pascutti pg. Phys Chem Chem Phys. 2011 Aug 14;13(30):13709-20. doi: 10.1039/c0cp02697b. Epub 2011 Jun 29. Phys Chem Chem Phys. 2011. PMID: 21713261

9

Structural and functional analysis of a platelet-activating lysophosphatidylcholine of Trypanosoma cruzi.

Gazos-Lopes F, Oliveira MM, Hoelz LV, Vieira DP, Marques AF, Nakayasu ES, Gomes MT, Salloum NG, Pascutti PG, Souto-Padrón T, Monteiro RQ, Lopes AH, Almeida IC. Gazos-Lopes F, et al. Among authors: pascutti pg. PLoS Negl Trop Dis. 2014 Aug 7;8(8):e3077. doi: 10.1371/journal.pntd.0003077. eCollection 2014 Aug. PLoS Negl Trop Dis. 2014. PMID: 25101628 Free PMC article.

10

Impact of M36I polymorphism on the interaction of HIV-1 protease with its substrates: insights from molecular dynamics.

Costa MG, Benetti-Barbosa TG, Desdouits N, Blondel A, Bisch PM, Pascutti PG, Batista PR. Costa MG, et al. Among authors: pascutti pg. BMC Genomics. 2014;15 Suppl 7(Suppl 7):S5. doi: 10.1186/1471-2164-15-S7-S5. Epub 2014 Oct 27. BMC Genomics. 2014. PMID: 25573486 Free PMC article.

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