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SAnDReS 2.0: Development of machine-learning models to explore the scoring function space.
de Azevedo WF Jr, Quiroga R, Villarreal MA, da Silveira NJF, Bitencourt-Ferreira G, da Silva AD, Veit-Acosta M, Oliveira PR, Tutone M, Biziukova N, Poroikov V, Tarasova O, Baud S. de Azevedo WF Jr, et al. J Comput Chem. 2024 Oct 15;45(27):2333-2346. doi: 10.1002/jcc.27449. Epub 2024 Jun 20. J Comput Chem. 2024. PMID: 38900052
Interaction of copper potential metallodrugs with TMPRSS2: A comparative study of docking tools and its implications on COVID-19.
Vazquez-Rodriguez S, Ramírez-Contreras D, Noriega L, García-García A, Sánchez-Gaytán BL, Melendez FJ, Castro ME, de Azevedo WF Jr, González-Vergara E. Vazquez-Rodriguez S, et al. Among authors: de azevedo wf jr. Front Chem. 2023 Jan 26;11:1128859. doi: 10.3389/fchem.2023.1128859. eCollection 2023. Front Chem. 2023. PMID: 36778030 Free PMC article.
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
135 results