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Progress in the Visualization and Mining of Chemical and Target Spaces.
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- Molecular Informatics, 2013, v. 32, n. 11/12, p. 942, doi. 10.1002/minf.201300041
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- Article
Structure-based approaches for the design of benzimidazole-2-carbamate derivatives as tubulin polymerization inhibitors.
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- Chemical Biology & Drug Design, 2017, v. 90, n. 1, p. 40, doi. 10.1111/cbdd.12926
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- Article
Kinetic and Molecular Docking Studies to Determine the Effect of Inhibitors on the Activity and Structure of Fused G6PD::6PGL Protein from Trichomonas vaginalis.
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- Molecules, 2022, v. 27, n. 4, p. 1174, doi. 10.3390/molecules27041174
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- Article
Identification and In Silico Characterization of Novel Helicobacter pylori Glucose-6-Phosphate Dehydrogenase Inhibitors.
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- Molecules, 2021, v. 26, n. 16, p. 4955, doi. 10.3390/molecules26164955
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- Article
Generation of Amyloid-β Peptides by γ-Secretase.
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- Israel Journal of Chemistry, 2017, v. 57, n. 7/8, p. 574, doi. 10.1002/ijch.201600073
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- Article
Synthesis of Quinazolin‐2,4,6‐triamine Derivatives as Non‐purine Xanthine Oxidase Inhibitors and Exploration of Their Toxicological Potential**.
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- ChemMedChem, 2023, v. 18, n. 20, p. 1, doi. 10.1002/cmdc.202300184
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- Article
In Silico Characterization of Masitinib Interaction with SARS‐CoV‐2 Main Protease.
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- ChemMedChem, 2021, v. 16, n. 15, p. 2339, doi. 10.1002/cmdc.202100375
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- Article
Design, Synthesis and Evaluation of 2,4‐Diaminoquinazoline Derivatives as Potential Tubulin Polymerization Inhibitors.
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- ChemMedChem, 2020, v. 15, n. 19, p. 1802, doi. 10.1002/cmdc.202000185
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- Article
Toward the Characterization of DAPT Interactions with γ‐Secretase.
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- ChemMedChem, 2019, v. 14, n. 10, p. 1005, doi. 10.1002/cmdc.201900106
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- Article
Effects of the Protonation State of Titratable Residues and the Presence of Water Molecules on Nocodazole Binding to β‐Tubulin.
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- ChemMedChem, 2018, v. 13, n. 1, p. 20, doi. 10.1002/cmdc.201700530
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- Article
Enhancing Giardicidal Activity and Aqueous Solubility through the Development of "RetroABZ", a Regioisomer of Albendazole: In Vitro, In Vivo, and In Silico Studies †.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 19, p. 14949, doi. 10.3390/ijms241914949
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- Article
Atomistic Structure and Dynamics of the Ca2+-ATPase Bound to Phosphorylated Phospholamban.
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- International Journal of Molecular Sciences, 2020, v. 21, n. 19, p. 7261, doi. 10.3390/ijms21197261
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- Article
Linking Biochemical and Structural States of SERCA: Achievements, Challenges, and New Opportunities.
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- International Journal of Molecular Sciences, 2020, v. 21, n. 11, p. 4146, doi. 10.3390/ijms21114146
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- Article
Dwarf open reading frame (DWORF) is a direct activator of the sarcoplasmic reticulum calcium pump SERCA.
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- eLife, 2021, p. 1, doi. 10.7554/eLife.65545
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- Article
Discovery of inhibitors of protein tyrosine phosphatase 1B contained in a natural products library from Mexican medicinal plants and fungi using a combination of enzymatic and in silico methods.
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- Frontiers in Pharmacology, 2023, p. 1, doi. 10.3389/fphar.2023.1281045
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- Article
(2Z)-3-Hydroxy-3-(4-R-Phenyl)-Prop-2-Enedithioic Acids as New Antituberculosis Compounds.
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- Infection & Drug Resistance, 2021, v. 14, p. 4323, doi. 10.2147/IDR.S328132
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A multiscale approach for bridging the gap between potency, efficacy, and safety of small molecules directed at membrane proteins.
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- Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-96217-7
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- Article