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51

3D descriptors calculation and conformational search to investigate potential bioactive conformations, with application in 3D-QSAR and virtual screening in drug design

da Silva, Carlos Henrique Tomich de Paula, Taft, Carlton Anthony

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2016

Language:

english

File:

PDF, 1.32 MB

english, 2016

52

Stability of rolled-up GaAs nanotubes

Silva, Júnio C. F., dos Santos, José D., Taft, Carlton A., Martins, João B. L., Longo, Elson

Journal:

Journal of Molecular Modeling

Year:

2017

Language:

english

File:

PDF, 2.20 MB

english, 2017

53

Simulations and Analysis of Titanium Dioxide Nanotubes (Rutile (110) and Anatase (101))

O. Silva, Gustavo, D. Santos, Jose, B.L. Martins, João, A. Taft, Carlton, Longo, Elson

Journal:

Current Physical Chemistry

Year:

2016

Language:

english

File:

PDF, 1.69 MB

english, 2016

54

Structure and Ligand Based Rational Drug Design for Bace-1 Inhibitors

Semighini, E. P., A. Taft, Carlton, Silva, C. H. T. P.

Journal:

Current Bioactive Compounds

Year:

2013

Language:

english

File:

PDF, 550 KB

english, 2013

55

Pharmacophore-based Drug Design of Novel Potential Tau Ligands for Alzheimer's Disease Treatment

Pedersoli-Mantoani, Susimaire, Silva, Vinicius, Taft, Carlton, Silva, Carlos

Journal:

Current Physical Chemistry

Year:

2014

Language:

english

File:

PDF, 1.25 MB

english, 2014

56

Editorial (Thematic Issue: Ceramics, Nanotubes, Advanced Materials: Theoretical and Experimental Structure-Property Relationships - Part II)

Journal:

Current Physical Chemistry

Year:

2014

Language:

english

File:

PDF, 114 KB

english, 2014

57

Editorial (Thematic Issue: Ceramics, Nanotubes, Advanced Materials: Theoretical and Experimental Structure-Property Relationships: Part V)

A. Taft, Carlton

Journal:

Current Physical Chemistry

Year:

2016

Language:

english

File:

PDF, 108 KB

english, 2016

58

Computational design of new protein kinase 2 inhibitors for the treatment of inflammatory diseases using QSAR, pharmacophore-structure-based virtual screening, and molecular dynamics

Cruz, Josiane V., Serafim, Rodolfo B., da Silva, Gabriel M., Giuliatti, Silvana, Rosa, Joaquín M. C., Araújo Neto, Moysés F., Leite, Franco H. A., Taft, Carlton A., da Silva, Carlos H. T. P., Santos,

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 2.18 MB

english, 2018

59

Development of Monoamine Oxidase B Inhibitors with Antiparkinson Activity

R. de Souza, Lucilene, de Matos Picanço, Rafael, A. Pinheiro, Abraão, R. da Silva, Karina, A. Taft, Carlton, H. T. de Paula da Silva, Carlos, B. R. dos Santos, Cleydson, I. da Silva Hage-Melim, Lorane

Journal:

Current Physical Chemistry

Year:

2016

Language:

english

File:

PDF, 3.42 MB

english, 2016

60

Quantum Chemistry Study on the Electronic Structures and Spectroscopic Properties of Dioxoosmium Complex Ions [OsO2(L)4]2± (L=CN, CO and CCH)

Zhang, Yu, Taft, Carlton

Journal:

Current Physical Chemistry

Year:

2014

Language:

english

File:

PDF, 619 KB

english, 2014

61

A Comparative Study of the effects of Vitamins C and E in the Development of Sarcoma 180 in Mice

Paiva, Gerson S., Taft, Carlton A., Carvalho, Marcos C., de Souza, Ivone A., da Silva, Elisângela C. Barbosa, Cavalcanti, Karen P., L. Jr., Ronaldo F., De la Cruz, Neil M.

Journal:

Journal of Cancer

Year:

2013

Language:

english

File:

PDF, 332 KB

english, 2013

62

Methodology to Obtain and Study Geometries of Single and Double Wall Silicon Carbide Nanotubes

J. Costa, Rogerio, B. L. Martins, João, Longo, Elson, A. Taft, Carlton, D. Santos, Jose

Journal:

Current Physical Chemistry

Year:

2016

Language:

english

File:

PDF, 6.34 MB

english, 2016

63

EDITORIAL (Thematic Issue: Ceramics, Nanotubes, Advanced Materials: Theoretical and Experimental Structure-Property Relationships- Part I)

Journal:

Current Physical Chemistry

Year:

2013

Language:

english

File:

PDF, 101 KB

english, 2013

64

Editorial (Thematic Issue: Ceramics, Nanotubes, Advanced Materials: Theoretical and Experimental Structure-Property Relationships Part IV)

A. Taft, Carlton

Journal:

Current Physical Chemistry

Year:

2016

Language:

english

File:

PDF, 100 KB

english, 2016

65

Identification of Potential Inhibitors from Pyriproxyfen with Insecticidal Activity by Virtual Screening

Ramos, Ryan, Costa, Josivan, Silva, Rai, da Costa, Glauber, Rodrigues, Alex, Rabelo, Érica, Souto, Raimundo, Taft, Carlton, Silva, Carlos, Rosa, Joaquín, Santos, Cleydson, Macêdo, Williams

Journal:

Pharmaceuticals

Year:

2019

Language:

english

File:

PDF, 2.99 MB

english, 2019

66

Molecular Modeling of Peptide Derivatives NS3 Protease Inhibitors of the Type 2 Dengue Virus

F. dos Santos, César, E. da Silva e Silva, Anna, M. Lopes Martins, Aline, A. Taft, Carlton, H. T. de Paula da Silva, Carlos, B. R. dos Santos, Cleydson, I. da Silva Hage- Melim, Lorane

Journal:

Current Physical Chemistry

Year:

2016

Language:

english

File:

PDF, 371 KB

english, 2016

67

Editorial (Hot Topic: New Advances of Drug Design in Alzheimer's Disease)

A. Taft, Carlton

Journal:

Current Bioactive Compounds

Year:

2013

Language:

english

File:

PDF, 47 KB

english, 2013

68

Electronic, structural, optical, and photocatalytic properties of graphitic carbon nitride

Cardozo Amorin, Luís Henrique, Suzuki, Victor, de Paula, Natália, Duarte, José Leonil, da Silva, Marco, Taft, Carlton, La Porta, Felipe de Almeida

Journal:

New Journal of Chemistry

Year:

2019

Language:

english

File:

PDF, 4.22 MB

english, 2019

69

Molecular Dynamics, Density Functional Theory, Pharmacophore Modeling, Molecular Interaction Fields and ADME/Tox Investigation of Novel Bioactive Compounds Interacting with CDK2 Surfaces

Ferreira, Fernanda, Couto, Wagner, Fontana, Vanessa, Taft, Carlton, Silva, Carlos

Journal:

Current Physical Chemistry

Year:

2014

Language:

english

File:

PDF, 3.91 MB

english, 2014

70

[Engineering Materials] Emerging Research in Science and Engineering Based on Advanced Experimental and Computational Strategies || Insights into Novel Antimicrobial Based on Chitosan Nanoparticles: From a Computational and Experimental Perspective

La Porta, Felipe de Almeida, Taft, Carlton A.

Year:

2020

Language:

english

File:

PDF, 1.12 MB

english, 2020

71

[Engineering Materials] Emerging Research in Science and Engineering Based on Advanced Experimental and Computational Strategies ||

La Porta, Felipe de Almeida, Taft, Carlton A.

Year:

2020

File:

PDF, 19.45 MB

2020

72

Molecular modeling of substances isolated from the essential oil of the species Drimys angustifolia and Drimys brasiliensis

ConceiÃ§Ã£o, Neuziane Dias, de Souza, Lucilene Rocha, Ferreira, Jaderson Vieira, Brito Brito, Maiara de FÃ¡tima, Pinheiro, AbraÃ£o Alves, da Silva, Karina Rufino, Taft, Carlton Anthony, da Silva, Carl

Journal:

Current Physical Chemistry

Year:

2020

File:

PDF, 2.25 MB

2020

73

Molecular modeling approaches of selective adenosine receptor type 2A agonists as potential anti-inflammatory drugs

Santos, Cleydson B. R., Santos, Kelton L. B., Cruz, Jorddy N., Leite, Franco H. A., Borges, Rosivaldo S., Taft, Carlton A., Campos, JoaquÃn M., Silva, Carlos H. T. P.

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2020

File:

PDF, 934 KB

2020

74

Review: theoretical and experimental investigation of the intrinsic properties of Zn2GeO4 nanocrystals

de Jesus, JoÃ£o P. A., Santos, Anne C. L., Pinto, Felipe M., Taft, Carlton A., La Porta, Felipe A.

Journal:

Journal of Materials Science

Year:

2020

File:

PDF, 2.18 MB

2020