Melo A - Search Results

1

Computational ecotoxicology: simultaneous prediction of ecotoxic effects of nanoparticles under different experimental conditions.

Kleandrova VV, Luan F, González-Díaz H, Ruso JM, Melo A, Speck-Planche A, Cordeiro MN. Kleandrova VV, et al. Among authors: melo a. Environ Int. 2014 Dec;73:288-94. doi: 10.1016/j.envint.2014.08.009. Epub 2014 Aug 29. Environ Int. 2014. PMID: 25173945 Free article.

2

Affinity prediction on A3 adenosine receptor antagonists: the chemometric approach.

Luan F, Melo A, Borges F, Cordeiro MN. Luan F, et al. Among authors: melo a. Bioorg Med Chem. 2011 Nov 15;19(22):6853-9. doi: 10.1016/j.bmc.2011.09.032. Epub 2011 Sep 22. Bioorg Med Chem. 2011. PMID: 21992803

3

Computer-aided nanotoxicology: assessing cytotoxicity of nanoparticles under diverse experimental conditions by using a novel QSTR-perturbation approach.

Luan F, Kleandrova VV, González-Díaz H, Ruso JM, Melo A, Speck-Planche A, Cordeiro MN. Luan F, et al. Among authors: melo a. Nanoscale. 2014 Sep 21;6(18):10623-30. doi: 10.1039/c4nr01285b. Epub 2014 Aug 1. Nanoscale. 2014. PMID: 25083742

4

A unified in silico model based on perturbation theory for assessing the genotoxicity of metal oxide nanoparticles.

Halder AK, Melo A, Cordeiro MNDS. Halder AK, et al. Among authors: melo a. Chemosphere. 2020 Apr;244:125489. doi: 10.1016/j.chemosphere.2019.125489. Epub 2019 Nov 27. Chemosphere. 2020. PMID: 31812055

5

Calibration sets and the accuracy of vibrational scaling factors: a case study with the X3LYP hybrid functional.

Teixeira F, Melo A, Cordeiro MN. Teixeira F, et al. Among authors: melo a. J Chem Phys. 2010 Sep 21;133(11):114109. doi: 10.1063/1.3493630. J Chem Phys. 2010. PMID: 20866128

6

Principal component analysis of Mn(salen) catalysts.

Teixeira F, Mosquera RA, Melo A, Freire C, Cordeiro MN. Teixeira F, et al. Among authors: melo a. Phys Chem Chem Phys. 2014 Dec 14;16(46):25364-76. doi: 10.1039/c4cp00721b. Epub 2014 Oct 22. Phys Chem Chem Phys. 2014. PMID: 25338310

7

A Machine Learning Approach for Hot-Spot Detection at Protein-Protein Interfaces.

Melo R, Fieldhouse R, Melo A, Correia JD, Cordeiro MN, Gümüş ZH, Costa J, Bonvin AM, Moreira IS. Melo R, et al. Among authors: melo a. Int J Mol Sci. 2016 Jul 27;17(8):1215. doi: 10.3390/ijms17081215. Int J Mol Sci. 2016. PMID: 27472327 Free PMC article.

8

Computational MitoTarget Scanning Based on Topological Vacancies of Single-Walled Carbon Nanotubes with the Human Mitochondrial Voltage-Dependent Anion Channel (hVDAC1).

González-Durruthy M, Monserrat JM, Viera de Oliveira P, Fagan SB, Werhli AV, Machado K, Melo A, González-Díaz H, Concu R, D S Cordeiro MN. González-Durruthy M, et al. Among authors: melo a. Chem Res Toxicol. 2019 Apr 15;32(4):566-577. doi: 10.1021/acs.chemrestox.8b00266. Epub 2019 Mar 26. Chem Res Toxicol. 2019. PMID: 30868869

9

Effects of axial coordination on immobilized Mn(salen) catalysts.

Teixeira F, Mosquera RA, Melo A, Freire C, Cordeiro MN. Teixeira F, et al. Among authors: melo a. J Phys Chem A. 2014 Nov 13;118(45):10788-96. doi: 10.1021/jp506206b. Epub 2014 Nov 3. J Phys Chem A. 2014. PMID: 25329801

10

Roots of Acetate-Vanadium Linkage Isomerism: A QTAIM Study.

Teixeira F, Mosquera R, Melo A, Freire C, Cordeiro MN. Teixeira F, et al. Among authors: melo a. Inorg Chem. 2016 Apr 4;55(7):3653-62. doi: 10.1021/acs.inorgchem.6b00168. Epub 2016 Mar 14. Inorg Chem. 2016. PMID: 26974465

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