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Insight into the Interaction Mechanism of Nicotine, NNK, and NNN with Cytochrome P450 2A13 Based on Molecular Dynamics Simulation.
J Chem Inf Model. 2020 Feb 24;60(2):766-776. doi: 10.1021/acs.jcim.9b00741. Epub 2019 Oct 28.
J Chem Inf Model. 2020.
PMID: 31622091
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 KS, Galúcio JM, da Costa CHS, Santana AR, Dos Santos Carvalho V, do Nascimento LD, Lima E Lima AH, Neves Cruz J, Alves CN, Lameira J.
da Costa KS, et al. Among authors: lima e lima ah.
ACS Omega. 2019 Dec 17;4(27):22475-22486. doi: 10.1021/acsomega.9b03157. eCollection 2019 Dec 31.
ACS Omega. 2019.
PMID: 31909330
Free PMC article.
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Targeting Peptidyl-prolyl Cis-trans Isomerase NIMA-interacting 1: A Structure-based Virtual Screening Approach to Find Novel Inhibitors.
da Costa KS, Galúcio JM, de Jesus DA, Gomes GC, Lima E Lima AH, Taube PS, Dos Santos AM, Lameira J.
da Costa KS, et al. Among authors: lima e lima ah.
Curr Comput Aided Drug Des. 2020;16(5):605-617. doi: 10.2174/1573409915666191025114009.
Curr Comput Aided Drug Des. 2020.
PMID: 31654518
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Structural analysis of viral infectivity factor of HIV type 1 and its interaction with A3G, EloC and EloB.
da Costa KS, Leal E, dos Santos AM, Lima e Lima AH, Alves CN, Lameira J.
da Costa KS, et al. Among authors: lima e lima ah.
PLoS One. 2014 Feb 26;9(2):e89116. doi: 10.1371/journal.pone.0089116. eCollection 2014.
PLoS One. 2014.
PMID: 24586532
Free PMC article.
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Applications of Virtual Screening in Bioprospecting: Facts, Shifts, and Perspectives to Explore the Chemo-Structural Diversity of Natural Products.
Santana K, do Nascimento LD, Lima E Lima A, Damasceno V, Nahum C, Braga RC, Lameira J.
Santana K, et al.
Front Chem. 2021 Apr 29;9:662688. doi: 10.3389/fchem.2021.662688. eCollection 2021.
Front Chem. 2021.
PMID: 33996755
Free PMC article.
Review.
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Predicting cell-penetrating peptides using machine learning algorithms and navigating in their chemical space.
de Oliveira ECL, Santana K, Josino L, Lima E Lima AH, de Souza de Sales Júnior C.
de Oliveira ECL, et al. Among authors: lima e lima ah.
Sci Rep. 2021 Apr 7;11(1):7628. doi: 10.1038/s41598-021-87134-w.
Sci Rep. 2021.
PMID: 33828175
Free PMC article.
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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 JAP, da Costa RA, da Costa ADSS, da Rocha ECM, Gomes AJB, Machado AK, Fagan SB, Brasil DDSB, Lima E Lima AH.
da Rocha JAP, et al. Among authors: lima e lima ah.
Front Chem. 2024 Feb 22;12:1336001. doi: 10.3389/fchem.2024.1336001. eCollection 2024.
Front Chem. 2024.
PMID: 38456183
Free PMC article.
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