Búsqueda | Biblioteca Virtual en Salud

1.

Insight into the Interaction Mechanism of Nicotine, NNK, and NNN with Cytochrome P450 2A13 Based on Molecular Dynamics Simulation.

Neves Cruz, Jorddy; Santana de Oliveira, Mozaniel; Gomes Silva, Sebastião; Pedro da Silva Souza Filho, Antonio; Santiago Pereira, Daniel; Lima E Lima, Anderson Henrique; de Aguiar Andrade, Eloisa Helena.

J Chem Inf Model ; 60(2): 766-776, 2020 02 24.

Artículo en Inglés | MEDLINE | ID: mdl-31622091

2.

Computational Investigation of Bisphosphate Inhibitors of 3-Deoxy-d-manno-octulosonate 8-phosphate Synthase.

Araújo, Jéssica de Oliveira; Dos Santos, Alberto Monteiro; Lameira, Jerônimo; Alves, Cláudio Nahum; Lima, Anderson Henrique.

Molecules ; 24(13)2019 Jun 27.

Artículo en Inglés | MEDLINE | ID: mdl-31252580

3.

Investigating molecular descriptors in cell-penetrating peptides prediction with deep learning: Employing N, O, and hydrophobicity according to the Eisenberg scale.

Seixas Feio, Juliana Auzier; de Oliveira, Ewerton Cristhian Lima; de Sales, Claudomiro de Souza; da Costa, Kauê Santana; E Lima, Anderson Henrique Lima.

PLoS One ; 19(6): e0305253, 2024.

Artículo en Inglés | MEDLINE | ID: mdl-38870192

4.

Harnessing Brazilian biodiversity database: identification of flavonoids as potential inhibitors of SARS-CoV-2 main protease using computational approaches and all-atom molecular dynamics simulation.

da Rocha, João Augusto Pereira; da Costa, Renato Araújo; da Costa, Andreia do Socorro Silva; da Rocha, Elaine Cristina Medeiros; Gomes, Anderson José Bahia; Machado, Alencar Kolinski; Fagan, Solange Binotto; Brasil, Davi do Socorro Barros; Lima E Lima, Anderson Henrique.

Front Chem ; 12: 1336001, 2024.

Artículo en Inglés | MEDLINE | ID: mdl-38456183

5.

Predicting cell-penetrating peptides using machine learning algorithms and navigating in their chemical space.

de Oliveira, Ewerton Cristhian Lima; Santana, Kauê; Josino, Luiz; Lima E Lima, Anderson Henrique; de Souza de Sales Júnior, Claudomiro.

Sci Rep ; 11(1): 7628, 2021 04 07.

Artículo en Inglés | MEDLINE | ID: mdl-33828175

6.

Unraveling the conformational dynamics of glycerol 3-phosphate dehydrogenase, a nicotinamide adenine dinucleotide-dependent enzyme of Leishmania mexicana.

Costa, Clauber Henrique Souza da; Bichara, Ted Wilson; Gomes, Guelber Cardoso; Dos Santos, Alberto Monteiro; da Costa, Kauê Santana; Lima, Anderson Henrique Lima E; Alves, Cláudio Nahum; Lameira, Jerônimo.

J Biomol Struct Dyn ; 39(6): 2044-2055, 2021 Apr.

Artículo en Inglés | MEDLINE | ID: mdl-32174264

7.

Using Accelerated Molecular Dynamics Simulation to elucidate the effects of the T198F mutation on the molecular flexibility of the West Nile virus envelope protein.

Valente, Renan Patrick da Penha; Souza, Rafael Conceição de; de Medeiros Muniz, Gabriela; Ferreira, João Elias Vidueira; de Miranda, Ricardo Morais; E Lima, Anderson Henrique Lima; Vianez Junior, João Lídio da Silva Gonçalves.

Sci Rep ; 10(1): 9625, 2020 06 15.

Artículo en Inglés | MEDLINE | ID: mdl-32541675

8.

Targeting Peptidyl-prolyl Cis-trans Isomerase NIMA-interacting 1: A Structure-based Virtual Screening Approach to Find Novel Inhibitors.

da Costa, Kauê Santana; Galúcio, João M; de Jesus, Deivid Almeida; Gomes, Guelber Cardoso; Lima E Lima, Anderson Henrique; Taube, Paulo S; Dos Santos, Alberto M; Lameira, Jerônimo.

Curr Comput Aided Drug Des ; 16(5): 605-617, 2020.

Artículo en Inglés | MEDLINE | ID: mdl-31654518

9.

Computational study of conformational changes in human 3-hydroxy-3-methylglutaryl coenzyme reductase induced by substrate binding.

Costa, Clauber Henrique Souza; Oliveira, Amanda Ruslana Santana; Dos Santos, Alberto M; da Costa, Kauê Santana; Lima, Anderson Henrique Lima E; Alves, Cláudio N; Lameira, Jerônimo.

J Biomol Struct Dyn ; 37(16): 4374-4383, 2019 10.

Artículo en Inglés | MEDLINE | ID: mdl-30470158

10.

Exploring the Potentiality of Natural Products from Essential Oils as Inhibitors of Odorant-Binding Proteins: A Structure- and Ligand-Based Virtual Screening Approach To Find Novel Mosquito Repellents.

da Costa, KauÈ Santana; Galúcio, João Marcos; da Costa, Clauber Henrique Souza; Santana, Amanda Ruslana; Dos Santos Carvalho, Vitor; do Nascimento, Lidiane Diniz; Lima E Lima, Anderson Henrique; Neves Cruz, Jorddy; Alves, Claudio Nahum; Lameira, Jerônimo.

ACS Omega ; 4(27): 22475-22486, 2019 Dec 31.

Artículo en Inglés | MEDLINE | ID: mdl-31909330

11.

Using accelerated molecular dynamics simulation to elucidate the effects of the T198F mutation on the molecular flexibility of the West Nile virus envelope protein

Valente, Renan Patrick de Penha; Souza, Rafael Conceição de; Muniz, Gabriela de Medeiros; Ferreira, João Elias Vidueira; Miranda, Ricardo Morais de; Lima, Anderson Henrique Lima e; Vianez Júnior, João Lídio da Silva Gonçalves.

VALENTE, Renan Patrick de Penha et al. Using accelerated molecular dynamics simulation to elucidate the effects of the T198F mutation on the molecular flexibility of the West Nile virus envelope protein. Scientific Reports, v. 10, n. 9625, 2020.

Artículo en Inglés | IED | ID: ied-4110

12.

Structural analysis of viral infectivity factor of HIV type 1 and its interaction with A3G, EloC and EloB.

da Costa, Kauê Santana; Leal, Elcio; dos Santos, Alberto Monteiro; Lima e Lima, Anderson Henrique; Alves, Cláudio Nahum; Lameira, Jerônimo.

PLoS One ; 9(2): e89116, 2014.

Artículo en Inglés | MEDLINE | ID: mdl-24586532

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