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
Published in Scientific reports (07.04.2021)
Published in Scientific reports (07.04.2021)
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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
Published in Journal of biomolecular structure & dynamics (31.03.2021)
Published in Journal of biomolecular structure & dynamics (31.03.2021)
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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, Junior, Claudomiro de Souza, da Costa, Kauê Santana, E Lima, Anderson Henrique Lima
Published in PloS one (13.06.2024)
Published in PloS one (13.06.2024)
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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
Published in Journal of biomolecular structure & dynamics (02.11.2019)
Published in Journal of biomolecular structure & dynamics (02.11.2019)
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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
Published in Scientific reports (15.06.2020)
Published in Scientific reports (15.06.2020)
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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
Published in Journal of chemical information and modeling (24.02.2020)
Published in Journal of chemical information and modeling (24.02.2020)
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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, Kauȇ 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
Published in ACS omega (31.12.2019)
Published in ACS omega (31.12.2019)
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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
Published in Frontiers in chemistry (22.02.2024)
Published in Frontiers in chemistry (22.02.2024)
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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
Published in PloS one (26.02.2014)
Published in PloS one (26.02.2014)
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