Results 191 to 200 of about 11,006,319 (257)

A Site‐Aware Representation Learning Framework For Unified Molecular Interaction Modeling and Generative Design

open access: yesAdvanced Science, EarlyView.
MolDBG is a site‐aware, sequence‐only framework that unifies drug‐target affinity prediction, binding‐site identification, and affinity‐conditioned molecular generation for structured proteins. Guided by multi‐task binding‐site supervision, it aligns interaction‐critical residues before learning drug‐target representations and simultaneously infers ...
Gang Luo   +6 more
wiley   +1 more source

Fzd7 Restrains Pink1‐Dependent Mitophagy in Suture Stem Cells to Maintain Cranial Suture Patency

open access: yesAdvanced Science, EarlyView.
How suture stem cells fail to preserve cranial suture patency remains incompletely understood. Integrated single‐cell and high‐resolution spatial transcriptomic analyses identify reduced Fzd7 expression in Prrx1+ suture stem cells as an early feature of craniosynostosis.
Xinyan Chen   +10 more
wiley   +1 more source

Universal Battery Capacity Degradation Forecasting Driven by Foundation Models Across Diverse Chemistries and Conditions

open access: yesAdvanced Science, EarlyView.
A unified time‐series forecasting framework learns transferable battery capacity‐degradation patterns from 20 heterogeneous datasets spanning chemistries, formats, temperatures, and cycling conditions. A single model delivers competitive predictions on both known and previously unseen datasets, while physics‐guided representation learning improves ...
Joey Chan   +8 more
wiley   +1 more source

Uncoupling Type I Interferon Benefits From Inflammatory Toxicity: Transformer‐Prioritized Precision Agonists for Potent and Safer Cancer Immunotherapy

open access: yesAdvanced Science, EarlyView.
A Transformer‐based AI framework, DLINP, screens millions of compounds to identify Co68, a cobalt‐pincer organometallic complex that biases TLR4‐MD2 signaling toward antitumor interferon activation while suppressing inflammatory toxicity through an early TLR4‐SYK‐STAT1 axis.
Xuefei Guo   +10 more
wiley   +1 more source

AI‐Assisted Tumor Boundary Delineation via Targeted Ultrasmall Iron Oxide Nanoprobe for High‐Contrast HER2‐Positive Tumor Imaging

open access: yesAdvanced Science, EarlyView.
A novel targeted and pH‐responsive MRI contrast agent was integrated with a 3D nnU‐Net deep learning framework to enable accurate delineation of tumor boundary morphology in HER2‐positive breast cancer imaging. ABSTRACT Breast cancer continues to be a leading cause of cancer‐related mortality in women globally, where precise diagnosis and clear tumor ...
Jiaying Zheng   +7 more
wiley   +1 more source

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