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Revealing innovative JAK1 and JAK3 inhibitors: a comprehensive study utilizing QSAR, 3D-Pharmacophore screening, molecular docking, molecular dynamics, and MM/GBSA analyses.
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- Frontiers in Molecular Biosciences, 2024, p. 1, doi. 10.3389/fmolb.2024.1348277
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Efficient Synthesis, Structural Characterization, Antibacterial Assessment, ADME-Tox Analysis, Molecular Docking and Molecular Dynamics Simulations of New Functionalized Isoxazoles.
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- Molecules, 2024, v. 29, n. 14, p. 3366, doi. 10.3390/molecules29143366
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- Article
Antioxidant, Volatile Compounds; Antimicrobial, Anti-Inflammatory, and Dermatoprotective Properties of Cedrus atlantica (Endl.) Manetti Ex Carriere Essential Oil: In Vitro and In Silico Investigations.
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- Molecules, 2023, v. 28, n. 15, p. 5913, doi. 10.3390/molecules28155913
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- Article
Molecular Modeling of Antimalarial Agents by 3D-QSAR Study and Molecular Docking of Two Hybrids 4-Aminoquinoline-1,3,5-triazine and 4-Aminoquinoline-oxalamide Derivatives with the Receptor Protein in Its Both Wild and Mutant Types.
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- Biochemistry Research International, 2018, p. 1, doi. 10.1155/2018/8639173
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- Article