Molecular docking and in vitro kinase assays. حسب Kafayat Yusuf (22104155)

Wnt signaling decreases the recruitment of RAB8a to basal bodies. حسب Cheng Yuan (160315)

Molecular docking diagram of rut and core targets. حسب Zhixuan Huang (6750410)

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Schematic diagram of molecular docking. حسب Wenyuan Liu (831675)

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Results of the molecular docking. حسب Naisarg Patel (21772572)

"…All these compounds were then docked to the mutated Cystic Fibrosis Transmembrane Regulator (CFTR) protein. …"

Results of Molecular Docking. حسب Naisarg Patel (21772572)

"…All these compounds were then docked to the mutated Cystic Fibrosis Transmembrane Regulator (CFTR) protein. …"

Representative 2D and 3D images ofmolecular docking of Viscosol. حسب Summan Thahiem (20988319)

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AI KRegression حسب CHIN-CHENG CHU (20718575)

Raw data of Fig 2-Fig 13 in this study. حسب Wen Wen Zheng (17721404)

"…TsSPc is involved in larval invasion of gut epithelium, but the mechanism is not completely elucidated. The purpose of this study was to investigate the mechanism of TsSPc action in larval invasion of gut mucosa.…"

Integrated analysis of molecular docking and molecular dynamics simulation reveals the molecular mechanism of SMND-309-Keap1-DC interaction حسب Yao Dong (3308124)

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Data Sheet 1_In silico molecular studies of Phosphinogold(I) thiocarbohydrate complexes: insights into multi-target anticancer mechanisms.docx حسب Alkhair Adam Khalil Mohamed (21529289)

"…Complex 13 demonstrated high in vitro activity against prostate, colon, and breast cancer cell lines (IC50 = 0.03, 0.25, and 0.07 μM respectively), collaborating with a significant interaction with Human Epidermal Growth Factor Receptor 2 (HER2) (–71.15 kcal/mol binding affinity) in silico. While acetylation decreased binding affinity; it enhanced cellular activity as reported in in vitro studies indicative of the need to balance lipophilicity and binding strength in future ligand design.…"

Hydrogen bond interactions between Capivasertib (red) and the AKT2 protein (blue) as predicted by molecular docking analyses. حسب Sadia Afrin Runa (22504971)

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Hydrogen bond interactions between Ipatasertib (red) and the AKT2 protein (blue) as predicted by molecular docking analyses. حسب Sadia Afrin Runa (22504971)

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Non-covalent interactions between Capivasertib (ball stick) and the AKT2 protein as predicted by molecular docking analyses. حسب Sadia Afrin Runa (22504971)

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Non-covalent interactions between Ipatasertib (ball stick) and the AKT2 protein as predicted by molecular docking analyses. حسب Sadia Afrin Runa (22504971)

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3D and 2D pose of the docked Shikonin diagram displaying a variety of interactions with enzyme’s active region. حسب MohammedBashar Al-Qazzan (22439236)

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3D and 2D pose of the docked Tolcapone diagram displaying a variety of interactions with enzyme’s active region. حسب MohammedBashar Al-Qazzan (22439236)

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3D and 2D pose of the docked 4-hydroxyestrdiol diagram displaying a variety of interactions with enzyme’s active region. حسب MohammedBashar Al-Qazzan (22439236)

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Hydrogen bond interactions between Akt1/Akt2-IN-1 (red) and the AKT2 protein (blue) as predicted by molecular docking analyses. حسب Sadia Afrin Runa (22504971)

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Non-covalent interactions between Akt1/Akt2-IN-1 (ball stick) and the AKT2 protein as predicted by molecular docking analyses. حسب Sadia Afrin Runa (22504971)

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