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Table representation of search results timeline featuring number of search results per year.

Year Number of Results
1996 2
1997 1
1998 5
1999 3
2000 4
2001 5
2002 3
2003 8
2004 16
2005 12
2006 17
2007 9
2008 25
2009 12
2010 8
2011 9
2012 6
2014 1
2015 1
2016 2
2017 4
2018 4
2019 17
2020 3
2021 7
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172 results
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Page 1
Electrostatic Potential Energy in Protein-Drug Complexes.
Bitencourt-Ferreira G, de Azevedo Junior WF. Bitencourt-Ferreira G, et al. Among authors: de azevedo junior wf. Curr Med Chem. 2021;28(24):4954-4971. doi: 10.2174/0929867328666210201150842. Curr Med Chem. 2021. PMID: 33593246 Review.
Taba: A Tool to Analyze the Binding Affinity.
da Silva AD, Bitencourt-Ferreira G, de Azevedo WF Jr. da Silva AD, et al. Among authors: de azevedo wf jr. J Comput Chem. 2020 Jan 5;41(1):69-73. doi: 10.1002/jcc.26048. Epub 2019 Aug 13. J Comput Chem. 2020. PMID: 31410856
Exploring the Scoring Function Space.
Bitencourt-Ferreira G, de Azevedo WF Jr. Bitencourt-Ferreira G, et al. Among authors: de azevedo wf jr. Methods Mol Biol. 2019;2053:275-281. doi: 10.1007/978-1-4939-9752-7_17. Methods Mol Biol. 2019. PMID: 31452111
Machine Learning to Predict Binding Affinity.
Bitencourt-Ferreira G, de Azevedo WF Jr. Bitencourt-Ferreira G, et al. Among authors: de azevedo wf jr. Methods Mol Biol. 2019;2053:251-273. doi: 10.1007/978-1-4939-9752-7_16. Methods Mol Biol. 2019. PMID: 31452110
Homology Modeling of Protein Targets with MODELLER.
Bitencourt-Ferreira G, de Azevedo WF Jr. Bitencourt-Ferreira G, et al. Among authors: de azevedo wf jr. Methods Mol Biol. 2019;2053:231-249. doi: 10.1007/978-1-4939-9752-7_15. Methods Mol Biol. 2019. PMID: 31452109
Molecular Docking Simulations with ArgusLab.
Bitencourt-Ferreira G, de Azevedo WF Jr. Bitencourt-Ferreira G, et al. Among authors: de azevedo wf jr. Methods Mol Biol. 2019;2053:203-220. doi: 10.1007/978-1-4939-9752-7_13. Methods Mol Biol. 2019. PMID: 31452107
Docking with SwissDock.
Bitencourt-Ferreira G, de Azevedo WF Jr. Bitencourt-Ferreira G, et al. Among authors: de azevedo wf jr. Methods Mol Biol. 2019;2053:189-202. doi: 10.1007/978-1-4939-9752-7_12. Methods Mol Biol. 2019. PMID: 31452106
Docking with GemDock.
Bitencourt-Ferreira G, de Azevedo WF Jr. Bitencourt-Ferreira G, et al. Among authors: de azevedo wf jr. Methods Mol Biol. 2019;2053:169-188. doi: 10.1007/978-1-4939-9752-7_11. Methods Mol Biol. 2019. PMID: 31452105
Molegro Virtual Docker for Docking.
Bitencourt-Ferreira G, de Azevedo WF Jr. Bitencourt-Ferreira G, et al. Among authors: de azevedo wf jr. Methods Mol Biol. 2019;2053:149-167. doi: 10.1007/978-1-4939-9752-7_10. Methods Mol Biol. 2019. PMID: 31452104
Docking with AutoDock4.
Bitencourt-Ferreira G, Pintro VO, de Azevedo WF Jr. Bitencourt-Ferreira G, et al. Among authors: de azevedo wf jr. Methods Mol Biol. 2019;2053:125-148. doi: 10.1007/978-1-4939-9752-7_9. Methods Mol Biol. 2019. PMID: 31452103
Molecular Dynamics Simulations with NAMD2.
Bitencourt-Ferreira G, de Azevedo WF Jr. Bitencourt-Ferreira G, et al. Among authors: de azevedo wf jr. Methods Mol Biol. 2019;2053:109-124. doi: 10.1007/978-1-4939-9752-7_8. Methods Mol Biol. 2019. PMID: 31452102
Hydrogen Bonds in Protein-Ligand Complexes.
Bitencourt-Ferreira G, Veit-Acosta M, de Azevedo WF Jr. Bitencourt-Ferreira G, et al. Among authors: de azevedo wf jr. Methods Mol Biol. 2019;2053:93-107. doi: 10.1007/978-1-4939-9752-7_7. Methods Mol Biol. 2019. PMID: 31452101
Van der Waals Potential in Protein Complexes.
Bitencourt-Ferreira G, Veit-Acosta M, de Azevedo WF Jr. Bitencourt-Ferreira G, et al. Among authors: de azevedo wf jr. Methods Mol Biol. 2019;2053:79-91. doi: 10.1007/978-1-4939-9752-7_6. Methods Mol Biol. 2019. PMID: 31452100
Electrostatic Energy in Protein-Ligand Complexes.
Bitencourt-Ferreira G, Veit-Acosta M, de Azevedo WF Jr. Bitencourt-Ferreira G, et al. Among authors: de azevedo wf jr. Methods Mol Biol. 2019;2053:67-77. doi: 10.1007/978-1-4939-9752-7_5. Methods Mol Biol. 2019. PMID: 31452099
SAnDReS: A Computational Tool for Docking.
Bitencourt-Ferreira G, de Azevedo WF Jr. Bitencourt-Ferreira G, et al. Among authors: de azevedo wf jr. Methods Mol Biol. 2019;2053:51-65. doi: 10.1007/978-1-4939-9752-7_4. Methods Mol Biol. 2019. PMID: 31452098
How Docking Programs Work.
Bitencourt-Ferreira G, de Azevedo WF Jr. Bitencourt-Ferreira G, et al. Among authors: de azevedo wf jr. Methods Mol Biol. 2019;2053:35-50. doi: 10.1007/978-1-4939-9752-7_3. Methods Mol Biol. 2019. PMID: 31452097
A lupane-triterpene isolated from Combretum leprosum Mart. fruit extracts that interferes with the intracellular development of Leishmania (L.) amazonensis in vitro.
Teles CB, Moreira-Dill LS, Silva Ade A, Facundo VA, de Azevedo WF Jr, da Silva LH, Motta MC, Stábeli RG, Silva-Jardim I. Teles CB, et al. Among authors: de azevedo wf jr. BMC Complement Altern Med. 2015 Jun 6;15:165. doi: 10.1186/s12906-015-0681-9. BMC Complement Altern Med. 2015. PMID: 26048712 Free PMC article.
Shikimate kinase, a protein target for drug design.
Coracini JD, de Azevedo WF Jr. Coracini JD, et al. Among authors: de azevedo wf jr. Curr Med Chem. 2014;21(5):592-604. doi: 10.2174/09298673113206660299. Curr Med Chem. 2014. PMID: 24164195 Review.
Role of Serine140 in the mode of action of Mycobacterium tuberculosis β-ketoacyl-ACP Reductase (MabA).
Rosado LA, Caceres RA, de Azevedo WF Jr, Basso LA, Santos DS. Rosado LA, et al. Among authors: de azevedo wf jr. BMC Res Notes. 2012 Sep 25;5:526. doi: 10.1186/1756-0500-5-526. BMC Res Notes. 2012. PMID: 23006410 Free PMC article.
Although the S140T protein showed impaired NADPH binding, the S140A mutant could bind to NADPH. Computational predictions for NADPH binding affinity to WT, S140T and S140A MabA proteins were consistent with fluorescence spectroscopy data. ...Interestingly, NADPH titrations …
Although the S140T protein showed impaired NADPH binding, the S140A mutant could bind to NADPH. Computational predictions for NADPH binding …
Anti-Trypanosoma cruzi activity of nicotinamide.
Soares MB, Silva CV, Bastos TM, Guimarães ET, Figueira CP, Smirlis D, Azevedo WF Jr. Soares MB, et al. Among authors: azevedo wf jr. Acta Trop. 2012 May;122(2):224-9. doi: 10.1016/j.actatropica.2012.01.001. Epub 2012 Jan 18. Acta Trop. 2012. PMID: 22281243 Free article.
Antimalarial activity of physalins B, D, F, and G.
Sá MS, de Menezes MN, Krettli AU, Ribeiro IM, Tomassini TC, Ribeiro dos Santos R, de Azevedo WF Jr, Soares MB. Sá MS, et al. Among authors: de azevedo wf jr. J Nat Prod. 2011 Oct 28;74(10):2269-72. doi: 10.1021/np200260f. Epub 2011 Sep 28. J Nat Prod. 2011. PMID: 21954931
In silico analysis using the similarity ensemble approach (SEA) database predicted the antimalarial activity of each of these compounds, which were shown using an in vitro assay against Plasmodium falciparum. However, treatment of P. berghei-infected mice with 3 increased …
In silico analysis using the similarity ensemble approach (SEA) database predicted the antimalarial activity of each of these compounds, whi …
172 results