Publicações

Curriculum Lattes

http://scholar.google.com/citations?hl=en&user=95SvbM8AAAAJ

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1. MJ Lagos PAS Autreto, Bettini Sato SO Dantas DS Galvao Ugarte J F D: Surface effects on the mechanical elongation of AuCu nanowires: De-alloying and the formation of mixed suspended atomic chains. Em: Journal of Applied Physics, 117 (9), pp. 094301, 2015. (Tipo: Journal Article | Resumo | Links | BibTeX)
2. Sato, Fernando ; Braga, Scheila F; dos Santos, Helio F; Galvao, Douglas S: Structure-Activity Relationship Investigation of Some New Tetracyclines by Electronic Index Methodology. Em: arXiv preprint arXiv:0708.2931, 2007. (Tipo: Journal Article | Resumo | Links | BibTeX)
3. Troche, Karla S; Braga, Scheila F; Coluci, Vitor R; Galvao, Douglas S: Carcinogenic classification of polycyclic aromatic hydrocarbons through theoretical descriptors. Em: International journal of quantum chemistry, 103 (5), pp. 718–730, 2005. (Tipo: Journal Article | Resumo | Links | BibTeX)
4. Braga, Scheila Furtado ; Galvao, Douglas Soares : Benzo [c] quinolizin-3-ones theoretical investigation: SAR analysis and application to nontested compounds. Em: Journal of chemical information and computer sciences, 44 (6), pp. 1987–1997, 2004. (Tipo: Journal Article | Resumo | Links | BibTeX)
5. Braga, Scheila Furtado ; Galvao, Douglas Soares : A structure-activity study of taxol, taxotere, and derivatives using the electronic indices methodology (EIM). Em: Journal of chemical information and computer sciences, 43 (2), pp. 699–706, 2003. (Tipo: Journal Article | Resumo | Links | BibTeX)
6. Braga, SF ; Galvao, DS : A semiempirical study on the electronic structure of 10-deacetylbaccatin-III. Em: Journal of Molecular Graphics and Modelling, 21 (1), pp. 57–70, 2002. (Tipo: Journal Article | Resumo | Links | BibTeX)
7. Coluci, Vitor Rafael ; Vendrame, Rosana ; Braga, RS ; Galvao, DS : Identifying relevant molecular descriptors related to carcinogenic activity of polycyclic aromatic hydrocarbons (PAHs) using pattern recognition methods. Em: Journal of chemical information and computer sciences, 42 (6), pp. 1479–1489, 2002. (Tipo: Journal Article | Resumo | Links | BibTeX)

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2015

7.Surface effects on the mechanical elongation of AuCu nanowires: De-alloying and the formation of mixed suspended atomic chains

MJ Lagos PAS Autreto, Bettini Sato SO Dantas DS Galvao Ugarte J F D

Surface effects on the mechanical elongation of AuCu nanowires: De-alloying and the formation of mixed suspended atomic chains Journal Article

Journal of Applied Physics, 117 (9), pp. 094301, 2015.

Resumo | Links | BibTeX | Tags: Metallic Nanowires, Molecular Dynamics, TEM, Theory of Electronic Indices

2007

6.Structure-Activity Relationship Investigation of Some New Tetracyclines by Electronic Index Methodology

Sato, Fernando ; Braga, Scheila F; dos Santos, Helio F; Galvao, Douglas S

Structure-Activity Relationship Investigation of Some New Tetracyclines by Electronic Index Methodology Journal Article

arXiv preprint arXiv:0708.2931, 2007.

Resumo | Links | BibTeX | Tags: Drug Design, Electronic Structure, Neural Networks, PCA/HCA, Tetracyclines, Theory of Electronic Indices

2005

5.Carcinogenic classification of polycyclic aromatic hydrocarbons through theoretical descriptors

Troche, Karla S; Braga, Scheila F; Coluci, Vitor R; Galvao, Douglas S

Carcinogenic classification of polycyclic aromatic hydrocarbons through theoretical descriptors Journal Article

International journal of quantum chemistry, 103 (5), pp. 718–730, 2005.

Resumo | Links | BibTeX | Tags: Carcinogenesis, HCA, Neural Networks, PCA, Polycyclic Aromatic Hydrocarbons (PAHs), Theory of Electronic Indices

2004

4.Benzo [c] quinolizin-3-ones theoretical investigation: SAR analysis and application to nontested compounds

Braga, Scheila Furtado ; Galvao, Douglas Soares

Benzo [c] quinolizin-3-ones theoretical investigation: SAR analysis and application to nontested compounds Journal Article

Journal of chemical information and computer sciences, 44 (6), pp. 1987–1997, 2004.

Resumo | Links | BibTeX | Tags: Drug Design, Electronic Structure, PCA/HCA, Theory of Electronic Indices

2003

3.A structure-activity study of taxol, taxotere, and derivatives using the electronic indices methodology (EIM)

Braga, Scheila Furtado ; Galvao, Douglas Soares

A structure-activity study of taxol, taxotere, and derivatives using the electronic indices methodology (EIM) Journal Article

Journal of chemical information and computer sciences, 43 (2), pp. 699–706, 2003.

Resumo | Links | BibTeX | Tags: Drug Design, Electronic Structure, Taxol, Taxotere, Theory of Electronic Indices

2002

2.A semiempirical study on the electronic structure of 10-deacetylbaccatin-III

Braga, SF ; Galvao, DS

A semiempirical study on the electronic structure of 10-deacetylbaccatin-III Journal Article

Journal of Molecular Graphics and Modelling, 21 (1), pp. 57–70, 2002.

Resumo | Links | BibTeX | Tags: Baccatin, Drug Design, Electronic Structure, Taxol, Taxotere, Theory of Electronic Indices

1.Identifying relevant molecular descriptors related to carcinogenic activity of polycyclic aromatic hydrocarbons (PAHs) using pattern recognition methods

Coluci, Vitor Rafael ; Vendrame, Rosana ; Braga, RS ; Galvao, DS

Identifying relevant molecular descriptors related to carcinogenic activity of polycyclic aromatic hydrocarbons (PAHs) using pattern recognition methods Journal Article

Journal of chemical information and computer sciences, 42 (6), pp. 1479–1489, 2002.

Resumo | Links | BibTeX | Tags: Carcinogenesis, Neural Networks, PCA/HCA, Polycyclic Aromatic Hydrocarbons (PAHs), Theory of Electronic Indices

 

 

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Curriculum Lattes http://scholar.google.com/citations?hl=en&user=95SvbM8AAAAJ  

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Curriculum Lattes http://scholar.google.com/citations?hl=en&user=95SvbM8AAAAJ