Results 271 to 280 of about 417,651 (367)

DualPG‐DTA: A Large Language Model‐Powered Graph Neural Network Framework for Enhanced Drug‐Target Affinity Prediction and Discovery of Novel CDK9 Inhibitors Exhibiting in Vivo Anti‐Leukemia Activity

open access: yesAdvanced Science, EarlyView.
This study introduces DualPG‐DTA, a framework integrating two pre‐trained models to generate molecular and protein representations. It constructs dual graphs processed by specialized neural networks with dynamic attention for feature fusion, achieving superior benchmark performance.
Yihao Chen   +7 more
wiley   +1 more source

A Conjugation Delivery System of Macrophages and Platelet Pharmacytes Promotes Regeneration After Spinal Cord Injury

open access: yesAdvanced Science, EarlyView.
A macrophage–platelet conjugation system (M‐P‐NPs@PPARγ) targets injure tissue to co‐deliver platelet mitochondria and PPARγ‐encoding NPs. This strategy boosts the macrophage energy supply and restores lipid homeostasis, leading to synergistically enhanced efferocytosis and tissue repair Abstract Mitochondrial dysfunction occurs in macrophages with ...
Haoli Wang   +18 more
wiley   +1 more source

IL4I1⁺ Macrophages and TDO2⁺ Myofibroblasts Drive AhR‐Mediated Immunosuppression and Ferroptosis Resistance in Solid Predominant Lung Adenocarcinoma

open access: yesAdvanced Science, EarlyView.
Solid predominant lung adenocarcinoma exhibits an immune‐excluded, ferroptosis‐resistant niche enriched with IL4I1⁺ TAMs and TDO2⁺ myCAFs. Spatial and multi‐omics analyses reveal AhR‐driven crosstalk that promotes T cell exhaustion and therapy resistance. Blocking AhR with CH‐223191 restores ferroptosis sensitivity, and its combination with ferroptosis
Zhaoxuan Wang   +16 more
wiley   +1 more source

A Quantum Framework for Protein Binding‐Site Structure Prediction on Utility‐Level Quantum Processors

open access: yesAdvanced Science, EarlyView.
This study presents a hybrid quantum‐classical framework for accurate prediction of protein structures on utility‐level quantum processors. We evaluate the practical application of the Variational Quantum Eigen‐solver (VQE) in protein structure prediction and demonstrate its superiority over state‐of‐the‐art deep learning methods in molecular docking ...
Yuqi Zhang   +10 more
wiley   +1 more source

A Machine Learning‐Driven Pore‐Scale Network Model Coupling Reaction Kinetics and Interparticle Transport for Catalytic Process Design

open access: yesAdvanced Science, EarlyView.
Designing catalytic processes in porous reactors requires resolving coupled multiscale reaction–transport phenomena. We develop a machine‐learning‐accelerated pore‐scale dual‐network model with kinetics (DNMK), which captures reaction kinetics, pore‐scale transport, and reactor‐level behavior.
Ming‐Liang Qu   +10 more
wiley   +1 more source

Initial Distance‐Dependent Mean Force Drives Synaptic Vesicle Motion Toward Fusion Sites in Stimulated Hippocampal Neurons

open access: yesAdvanced Science, EarlyView.
Synaptic vesicle (SV) motion and exocytosis dynamics in the presynaptic terminals of live neurons are intimately linked to synaptic transmission during neuronal activity. In this work, it is revealed that, during electrical stimulation, SVs located farther from their fusion sites exhibit greater straightness and experience larger mean forces directed ...
Gyunam Park   +7 more
wiley   +1 more source

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