Search Results - "e Lima, Anderson Henrique Lima"
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Predicting cell-penetrating peptides using machine learning algorithms and navigating in their chemical space
Published in Scientific reports (07-04-2021)“…Cell-penetrating peptides (CPPs) are naturally able to cross the lipid bilayer membrane that protects cells. These peptides share common structural and…”
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Unraveling the conformational dynamics of glycerol 3-phosphate dehydrogenase, a nicotinamide adenine dinucleotide-dependent enzyme of Leishmania mexicana
Published in Journal of biomolecular structure & dynamics (31-03-2021)“…Allosteric changes modulate the enzymatic activity, leading to activation or inhibition of the molecular target. Understanding the induced fit accommodation…”
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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
Published in PloS one (13-06-2024)“…Cell-penetrating peptides comprise a group of molecules that can naturally cross the lipid bilayer membrane that protects cells, sharing physicochemical and…”
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Computational study of conformational changes in human 3-hydroxy-3-methylglutaryl coenzyme reductase induced by substrate binding
Published in Journal of biomolecular structure & dynamics (02-11-2019)“…The enzyme 3-hydroxy-3-methylglutaryl coenzyme A reductase (HMGR) is mainly involved in the regulation of cholesterol biosynthesis. HMGR catalyses the…”
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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
Published in Scientific reports (15-06-2020)“…The envelope (E) protein is an important target for antibodies in flavivirus. Literature reports that the mutation T198F, located at the domain I-II hinge of…”
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Insight into the Interaction Mechanism of Nicotine, NNK, and NNN with Cytochrome P450 2A13 Based on Molecular Dynamics Simulation
Published in Journal of chemical information and modeling (24-02-2020)“…Tobacco smoke contains various cancer-causing toxic substances, including nicotine and nitrosamines 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) and…”
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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
Published in ACS omega (31-12-2019)“…Odorant-binding proteins (OBPs) are the main olfactory proteins of mosquitoes, and their structures have been widely explored to develop new repellents. In the…”
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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
Published in Frontiers in chemistry (22-02-2024)“…SARS-CoV-2 (Severe Acute Respiratory Syndrome Coronavirus 2) is the etiological agent responsible for the global outbreak of COVID-19 (Coronavirus Disease…”
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Structural analysis of viral infectivity factor of HIV type 1 and its interaction with A3G, EloC and EloB
Published in PloS one (26-02-2014)“…The virion infectivity factor (Vif) is an accessory protein, which is essential for HIV replication in host cells. Vif neutralizes the antiviral host protein…”
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Métodos semiempíricos de química quântica no ensino da entalpia das reações químicas
Published in Scientia plena (27-05-2016)“…A carência de métodos para auxiliar o ensino Química torna o assunto desafiador diante das didáticas de ensino. No entanto, pesquisas têm sido feitas para…”
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Compostagem de resíduos sólidos orgânicos como tema incentivador de educação ambiental
Published in Scientia plena (27-05-2016)“…O presente trabalho diz respeito a uma prática ambiental promovida com a cooperação de alunos do ensino fundamental de uma escola localizada no município de…”
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