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2022-10-18 加入
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Deep Generative Models in De Novo Drug Molecule Generation
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Unraveling the potential of diffusion models in small-molecule generation
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ALOX15B regulates epidermal lipid metabolism and barrier function in atopic dermatitis
1个月前
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Taste properties and mechanism of umami peptides from fermented goose bones based on molecular docking and molecular dynamics simulation using umami receptor T1R1/T1R3
4个月前
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Taste properties and mechanism of umami peptides from fermented goose bones based on molecular docking and molecular dynamics simulation using umami receptor T1R1/T1R3
4个月前
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Indole and benzimidazole 15 lpoxygenase inhibitore
4个月前
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Unveiling Arformoterol as a potent LSD1 inhibitor for breast cancer treatment: A comprehensive study integrating 3D-QSAR pharmacophore modeling, molecular docking, molecular dynamics simulations and in vitro assays
9个月前
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Determination of the binding affinities of OPEs to integrin αvβ3 and elucidation of the underlying mechanisms via a competitive binding assay, pharmacophore modeling, molecular docking and QSAR modeling
9个月前
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Discovery and verification of bitter components in Panax notoginseng based on the integrated strategy of pharmacophore model, system separation and bitter tracing technology
9个月前
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Lead generation of cysteine based mesenchymal epithelial transition (c-Met) kinase inhibitors: Using structure-based scaffold hopping, 3D-QSAR pharmacophore modeling, virtual screening, molecular docking, and molecular dynamics simulation
9个月前
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