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Identification of Potential Inhibitors from Pyriproxyfen with Insecticidal Activity by Virtual Screening.
Published in:
Pharmaceuticals (14248247), 2019, v. 12, n. 1, p. 20, doi. 10.3390/ph12010020
By:
- da Silva Ramos, Ryan;
- da Silva Costa, Josivan;
- Campos Silva, Rai;
- Vilhena da Costa, Glauber;
- Bruno Lobato Rodrigues, Alex;
- de Menezes Rabelo, Érica;
- Nonato Picanço Souto, Raimundo;
- Anthony Taft, Carlton;
- Tomich de Paula da Silva, Carlos Henrique;
- Campos Rosa, Joaquín Maria;
- Rodrigues dos Santos, Cleydson Breno;
- da Cruz Macêdo, Williams Jorge
Publication type:
Article
Computational design of new protein kinase 2 inhibitors for the treatment of inflammatory diseases using QSAR, pharmacophore-structure-based virtual screening, and molecular dynamics.
Published in:
Journal of Molecular Modeling, 2018, v. 24, n. 9, p. 1, doi. 10.1007/s00894-018-3756-y
By:
- 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, Cleydson B. R.
Publication type:
Article
Stability of rolled-up GaAs nanotubes.
Published in:
Journal of Molecular Modeling, 2017, v. 23, n. 7, p. 1, doi. 10.1007/s00894-017-3371-3
By:
- Silva, Júnio;
- Santos, José;
- Taft, Carlton;
- Martins, João;
- Longo, Elson
Publication type:
Article
Niobium oxide solid catalyst: esterification of fatty acids and modeling for biodiesel production.
Published in:
Journal of Physical Organic Chemistry, 2011, v. 24, n. 1, p. 54, doi. 10.1002/poc.1701
By:
- de Araújo Gonçalves, Jussara;
- Ramos, André Luis Dantas;
- Rocha, Layla L. L.;
- Domingos, Anderson Kurunczi;
- Monteiro, Robson S.;
- Peres, José Sotolongo;
- Furtado, Nelson C.;
- Taft, Carlton A.;
- Aranda, Donato A. G.
Publication type:
Article
The use of acids, niobium oxide, and zeolite catalysts for esterification reactions.
Published in:
Journal of Physical Organic Chemistry, 2009, v. 22, n. 7, p. 709, doi. 10.1002/poc.1520
By:
- G. Aranda, Donato A.;
- Gonçalves, Jussara de Araújo;
- Peres, José Sotolongo;
- Dantas Ramos, André Luis;
- de Melo Jr., Carlos Augusto Ribeiro;
- C. Antunes, O. A.;
- Furtado, Nelson C.;
- Taft, Carlton A.
Publication type:
Article
Review: theoretical and experimental investigation of the intrinsic properties of Zn2GeO4 nanocrystals.
Published in:
Journal of Materials Science, 2021, v. 56, n. 7, p. 4552, doi. 10.1007/s10853-020-05549-8
By:
- de Jesus, João P. A.;
- Santos, Anne C. L.;
- Pinto, Felipe M.;
- Taft, Carlton A.;
- La Porta, Felipe A.
Publication type:
Article
ONIOM study of dissociated hydrogen and water on ZnO surface.
Published in:
International Journal of Quantum Chemistry, 2012, v. 112, n. 19, p. 3223, doi. 10.1002/qua.24147
By:
- Martins, João B. L.;
- Taft, Carlton A.;
- Longo, Elson;
- de Castro, Elton A. S.;
- da Cunha, Wiliam F.;
- Politi, José R. S.;
- Gargano, Ricardo
Publication type:
Article
CO2 and NH3 interaction with ZnO surface: An AM1 study.
Published in:
International Journal of Quantum Chemistry, 1998, v. 70, n. 2, p. 367, doi. 10.1002/(SICI)1097-461X(1998)70:2<367::AID-QUA13>3.0.CO;2-9
By:
- Martins, João B. L.;
- Longo, Elson;
- Taft, Carlton A.
Publication type:
Article
Theoretical study of metiamide, a histamine H2 antagonist.
Published in:
International Journal of Quantum Chemistry, 1998, v. 69, n. 1, p. 117, doi. 10.1002/(SICI)1097-461X(1998)69:1<117::AID-QUA13>3.0.CO;2-3
By:
- Martins, João B. L.;
- Taft, Carlton A.;
- Perez, Marco A.;
- Stamato, Fulvia M. L. G.;
- Longo, Elson
Publication type:
Article
Study of the structure-activity relationship for theoretical molecular descriptors using density functional theory and chemometric methods in cannabinoid metabolites.
Published in:
International Journal of Quantum Chemistry, 2008, v. 108, n. 13, p. 2530, doi. 10.1002/qua.21696
By:
- e Silva, Tânia B.;
- Pereira, Mariano A.;
- Malta, Valéria S.;
- Bento, Edson S.;
- San‐Miguel, Miguel A.;
- Ziolli, Roberta L.;
- Martins, João B. L.;
- Sih, Andre;
- Taft, Carlton A.
Publication type:
Article
Hyperconjugation effects of hydroxyl and amine groups on chemical shifts of neighboring carbon nuclei.
Published in:
International Journal of Quantum Chemistry, 2003, v. 95, n. 3, p. 322, doi. 10.1002/qua.10760
By:
- De M. Carneiro, José Walkimar;
- Dias, Jacques F.;
- Tostes, José Glauco R.;
- Seidl, Peter R.;
- Taft, Carlton A.
Publication type:
Article
Investigation of nucleoside analogs with anti-HIV activity.
Published in:
International Journal of Quantum Chemistry, 2003, v. 93, n. 6, p. 422, doi. 10.1002/qua.10580
By:
- Arissawa, Márcia;
- Taft, Carlton Anthony;
- Felcman, Judith
Publication type:
Article

Found: 12

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

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

Stability of rolled-up GaAs nanotubes.

Niobium oxide solid catalyst: esterification of fatty acids and modeling for biodiesel production.

The use of acids, niobium oxide, and zeolite catalysts for esterification reactions.

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

ONIOM study of dissociated hydrogen and water on ZnO surface.

CO<sub>2</sub> and NH<sub>3</sub> interaction with ZnO surface: An AM1 study.

Theoretical study of metiamide, a histamine H<sub>2</sub> antagonist.

Study of the structure-activity relationship for theoretical molecular descriptors using density functional theory and chemometric methods in cannabinoid metabolites.

Hyperconjugation effects of hydroxyl and amine groups on chemical shifts of neighboring carbon nuclei.

Investigation of nucleoside analogs with anti-HIV activity.