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Brazilian malaria molecular targets (BraMMT): selected receptors for virtual high-throughput screening experiments.
Mem Inst Oswaldo Cruz. 2019 Feb 25;114:e180465. doi: 10.1590/0074-02760180465.
Mem Inst Oswaldo Cruz. 2019.
PMID: 30810604
Free PMC article.
Octopus: a platform for the virtual high-throughput screening of a pool of compounds against a set of molecular targets.
Maia EH, Campos VA, Dos Reis Santos B, Costa MS, Lima IG, Greco SJ, Ribeiro RI, Munayer FM, da Silva AM, Taranto AG.
Maia EH, et al.
J Mol Model. 2017 Jan;23(1):26. doi: 10.1007/s00894-016-3184-9. Epub 2017 Jan 7.
J Mol Model. 2017.
PMID: 28064377
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Structure-Based Virtual Screening: From Classical to Artificial Intelligence.
Maia EHB, Assis LC, de Oliveira TA, da Silva AM, Taranto AG.
Maia EHB, et al.
Front Chem. 2020 Apr 28;8:343. doi: 10.3389/fchem.2020.00343. eCollection 2020.
Front Chem. 2020.
PMID: 32411671
Free PMC article.
Review.
Item in Clipboard
Evaluation of Docking Machine Learning and Molecular Dynamics Methodologies for DNA-Ligand Systems.
de Oliveira TA, Medaglia LR, Maia EHB, Assis LC, de Carvalho PB, da Silva AM, Taranto AG.
de Oliveira TA, et al. Among authors: maia ehb.
Pharmaceuticals (Basel). 2022 Jan 22;15(2):132. doi: 10.3390/ph15020132.
Pharmaceuticals (Basel). 2022.
PMID: 35215245
Free PMC article.
Item in Clipboard
Identification of Potential Multitarget Compounds against Alzheimer's Disease through Pharmacophore-Based Virtual Screening.
Mendes GO, Araújo Neto MF, Barbosa DB, Bomfim MRD, Andrade LSM, Carvalho PB, Oliveira TA, Falkoski DL, Maia EHB, Valle MS, Damázio LCM, Silva AMD, Taranto AG, Leite FHA.
Mendes GO, et al. Among authors: maia ehb.
Pharmaceuticals (Basel). 2023 Nov 23;16(12):1645. doi: 10.3390/ph16121645.
Pharmaceuticals (Basel). 2023.
PMID: 38139772
Free PMC article.
Item in Clipboard
Immunoinformatics Design of Multi-Epitope Peptide-Based Vaccine Against Schistosoma mansoni Using Transmembrane Proteins as a Target.
Sanches RCO, Tiwari S, Ferreira LCG, Oliveira FM, Lopes MD, Passos MJF, Maia EHB, Taranto AG, Kato R, Azevedo VAC, Lopes DO.
Sanches RCO, et al. Among authors: maia ehb.
Front Immunol. 2021 Mar 2;12:621706. doi: 10.3389/fimmu.2021.621706. eCollection 2021.
Front Immunol. 2021.
PMID: 33737928
Free PMC article.
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Molecular Architect: A User-Friendly Workflow for Virtual Screening.
Maia EHB, Medaglia LR, da Silva AM, Taranto AG.
Maia EHB, et al.
ACS Omega. 2020 Mar 20;5(12):6628-6640. doi: 10.1021/acsomega.9b04403. eCollection 2020 Mar 31.
ACS Omega. 2020.
PMID: 32258898
Free PMC article.
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Identification of a Potential Zika Virus Inhibitor Targeting NS5 Methyltransferase Using Virtual Screening and Molecular Dynamics Simulations.
Santos FRS, Lima WG, Maia EHB, Assis LC, Davyt D, Taranto AG, Ferreira JMS.
Santos FRS, et al. Among authors: maia ehb.
J Chem Inf Model. 2020 Feb 24;60(2):562-568. doi: 10.1021/acs.jcim.9b00809. Epub 2020 Feb 7.
J Chem Inf Model. 2020.
PMID: 31985225
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