Machuqueiro M - Search Results

1

In Silico Characterization of African Swine Fever Virus Nucleoprotein p10 Interaction with DNA.

Istrate C, Marques J, Bule P, Correia S, Aires-da-Silva F, Duarte M, Reis AL, Machuqueiro M, Leitão A, Victor BL. Istrate C, et al. Among authors: machuqueiro m. Viruses. 2022 Oct 25;14(11):2348. doi: 10.3390/v14112348. Viruses. 2022. PMID: 36366446 Free PMC article.

2

Structural effects of pH and deacylation on surfactant protein C in an organic solvent mixture: a constant-pH MD study.

Carvalheda CA, Campos SR, Machuqueiro M, Baptista AM. Carvalheda CA, et al. Among authors: machuqueiro m. J Chem Inf Model. 2013 Nov 25;53(11):2979-89. doi: 10.1021/ci400479c. Epub 2013 Oct 24. J Chem Inf Model. 2013. PMID: 24106805

3

Constant-pH MD Simulations of an Oleic Acid Bilayer.

Vila-Viçosa D, Teixeira VH, Baptista AM, Machuqueiro M. Vila-Viçosa D, et al. Among authors: machuqueiro m. J Chem Theory Comput. 2015 May 12;11(5):2367-76. doi: 10.1021/acs.jctc.5b00095. Epub 2015 Apr 27. J Chem Theory Comput. 2015. PMID: 26574431

4

Membrane-induced conformational changes of kyotorphin revealed by molecular dynamics simulations.

Machuqueiro M, Campos SR, Soares CM, Baptista AM. Machuqueiro M, et al. J Phys Chem B. 2010 Sep 9;114(35):11659-67. doi: 10.1021/jp104418g. J Phys Chem B. 2010. PMID: 20707376

5

Constant-pH MD Simulations of DMPA/DMPC Lipid Bilayers.

Santos HA, Vila-Viçosa D, Teixeira VH, Baptista AM, Machuqueiro M. Santos HA, et al. Among authors: machuqueiro m. J Chem Theory Comput. 2015 Dec 8;11(12):5973-9. doi: 10.1021/acs.jctc.5b00956. Epub 2015 Nov 20. J Chem Theory Comput. 2015. PMID: 26588046

6

Correction to "Structural Effects of pH and Deacylation on Surfactant Protein C in an Organic Solvent Mixture: A Constant-pH MD Study".

Carvalheda CA, Campos SR, Machuqueiro M, Baptista AM. Carvalheda CA, et al. Among authors: machuqueiro m. J Chem Inf Model. 2015 Jan 26;55(1):206. doi: 10.1021/ci5007454. Epub 2014 Dec 23. J Chem Inf Model. 2015. PMID: 25536385 No abstract available.

7

Indenyl ring slippage in crown thioether complexes [IndMo(CO)2L]+ and C-S activation of trithiacyclononane: experimental and theoretical studies.

Gamelas CA, Bandeira NA, Pereira CC, Calhorda MJ, Herdtweck E, Machuqueiro M, Romão CC, Veiros LF. Gamelas CA, et al. Among authors: machuqueiro m. Dalton Trans. 2011 Oct 28;40(40):10513-25. doi: 10.1039/c1dt10607d. Epub 2011 Aug 16. Dalton Trans. 2011. PMID: 21847471

8

Molecular details of INH-C10 binding to wt KatG and Its S315T mutant.

Teixeira VH, Ventura C, Leitão R, Ràfols C, Bosch E, Martins F, Machuqueiro M. Teixeira VH, et al. Among authors: machuqueiro m. Mol Pharm. 2015 Mar 2;12(3):898-909. doi: 10.1021/mp500736n. Epub 2015 Feb 3. Mol Pharm. 2015. PMID: 25590860

9

Glucosylpolyphenols as Inhibitors of Aβ-Induced Fyn Kinase Activation and Tau Phosphorylation: Synthesis, Membrane Permeability, and Exploratory Target Assessment within the Scope of Type 2 Diabetes and Alzheimer's Disease.

de Matos AM, Blázquez-Sánchez MT, Bento-Oliveira A, de Almeida RFM, Nunes R, Lopes PEM, Machuqueiro M, Cristóvão JS, Gomes CM, Souza CS, El Idrissi IG, Colabufo NA, Diniz A, Marcelo F, Oliveira MC, López Ó, Fernandez-Bolaños JG, Dätwyler P, Ernst B, Ning K, Garwood C, Chen B, Rauter AP. de Matos AM, et al. Among authors: machuqueiro m. J Med Chem. 2020 Oct 22;63(20):11663-11690. doi: 10.1021/acs.jmedchem.0c00841. Epub 2020 Oct 13. J Med Chem. 2020. PMID: 32959649 Free article.

10

Molecular dynamics at constant pH and reduction potential: application to cytochrome c(3).

Machuqueiro M, Baptista AM. Machuqueiro M, et al. J Am Chem Soc. 2009 Sep 9;131(35):12586-94. doi: 10.1021/ja808463e. J Am Chem Soc. 2009. PMID: 19685871

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