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Scientific Publications
July 19, 2024
Ticagrelor increases its own potency at the P2Y₁₂ receptor by directly changing the plasma membrane lipid order in platelets
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April 10, 2024
A novel fatty acid analogue triggers CD36–GPR120 interaction and exerts anti-inflammatory action in endotoxemia
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March 16, 2024
ArtiDock: fast and accurate machine learning approach to protein-ligand docking based on multimodal data augmentation
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January 3, 2024
Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pockets
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June 15, 2023
Pharmacophore modeling docking and molecular dynamics simulation for identification of novel human protein kinase C beta (PKCβ) inhibitors
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June 5, 2023
Curvature Matters: Modeling Calcium Binding to Neutral and Anionic Phospholipid Bilayers
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February 12, 2023
Plasma membrane lipid bilayer is druggable: Selective delivery of gemcitabine-squalene nano-medicine to cancer cells
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February 10, 2023
Discovery of novel antituberculosis agents among 3‐phenyl‐5‐(1‐phenyl‐1H‐[1,2,3]triazol‐4‐yl)‐[1,2,4]oxadiazole derivatives targeting aminoacyl‐tRNA synthetases
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December 4, 2022
Organelle specific fluorescent phenomics and transcriptomic profiling to evaluate cellular response to tris(1 3 dichloro 2 propyl) phosphate
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November 25, 2022
3DProtDTA: the deep learning model for drug-target affinity prediction based on the residue-level protein graphs
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November 19, 2022
Novel fat taste receptor agonists curtail progressive weight gain in obese male mice
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July 25, 2022
Identification of dual-targeted Mycobacterium tuberculosis aminoacyl-tRNA synthetase inhibitors using machine learning
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