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Page 1
Structure-Based Virtual Screening: From Classical to Artificial Intelligence.
Front Chem. 2020 Apr 28;8:343. doi: 10.3389/fchem.2020.00343. eCollection 2020.
Front Chem. 2020.
PMID: 32411671
Free PMC article.
Review.
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.
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Brazilian malaria molecular targets (BraMMT): selected receptors for virtual high-throughput screening experiments.
Nunes RR, Fonseca ALD, Pinto ACS, Maia EHB, Silva AMD, Varotti FP, Taranto AG.
Nunes RR, et al. Among authors: maia ehb.
Mem Inst Oswaldo Cruz. 2019 Feb 25;114:e180465. doi: 10.1590/0074-02760180465.
Mem Inst Oswaldo Cruz. 2019.
PMID: 30810604
Free PMC article.
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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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