Results 251 to 260 of about 7,645,086 (295)

A Unified Hierarchical Multiscale Fusion Framework for Drug–Target Affinity Prediction: From Benchmark Performance to Nanomolar Inhibitor Discovery

Advanced Science, EarlyView.
A multimodal fusion framework integrating sequence, atomic, and fragment representations captures drug–target interactions across multiple scales. The model delivers strong predictive performance and enables efficient virtual screening. Applied to hematopoietic progenitor kinase 1 (HPK1), it identifies structurally diverse inhibitors with nanomolar ...
Shuo Liu, Xiang Zhang, Haixia Feng, Yuquan Li, Xiaoqing Gong, Yong Liang, Xiaojun Yao, Huanxiang Liu   +7 more
wiley   +1 more source

LLMs build inconsistent knowledge graphs from one immune-checkpoint corpus: a five-axis benchmark and consensus precision-coverage protocol. [PDF]

Front Immunol
Xie Q, Fang Y, Hu Y.
europepmc   +1 more source

Interpretable Deep Learning of Molecule‐Solvent Interactions Using a Solvatochromic Subgroup Contribution Framework

Advanced Science, EarlyView.
Chemistry‐informed deep learning (DL) models based on the solvatochromic subgroup contribution (SSC) framework predict and interpret solvent‐dependent spectral shifts, revealing physically meaningful subgroup‐solvent interactions. ABSTRACT Solvent effects critically influence the photophysical and optical properties of molecules in solution, yet a ...
Jinyong Park, Minhi Han, Kiwoong Lee, Seokwoo Kim, Sungnam Park   +4 more
wiley   +1 more source

NeuroCypher ASD: Machine Learning with Knowledge Graph-Based Representation for ASD Screening in Toddlers. [PDF]

J Healthc Inform Res
Bouchouras G, Doumanas D, Kotis K.
europepmc   +1 more source

Matrix Stiffness Orchestrates Mesenchymal Stem Cell Lineage Commitment Toward Osteogenesis and Adipogenesis Through the PIEZO1/SP1/STC2 Axis

Advanced Science, EarlyView.
Matrix stiffness directs mesenchymal stem cell lineage commitment through PIEZO1‐dependent activation of the SP1/STC2 pathway. Stiff matrices favor osteogenesis and suppress adipogenesis, whereas the loss of PIEZO1 function impairs early bone formation. STC2 retains lineage‐regulatory activity even when PIEZO1 is inactive.
Shuo Zhang, Siteng Li, Wenzhong Chen, Qingcheng Song, Haiyue Zhao, Peng Wang, Yiran Zhang, Wenquan Liang, Shaowei Zheng, Juan Wang, Wei Chen, Yanbin Zhu, Yingze Zhang   +12 more
wiley   +1 more source

Dual-adaptive imputation graph neural network for knowledge-aware recommendation. [PDF]

Sci Rep
Huo Z, Liu H, Wu X, Xia C, Ge B, Zhang Y.   +5 more
europepmc   +1 more source

An Optimized Freeze‐Dry Multimodal Workflow for Sequential Micro‐CT Imaging, Histology, and Molecular Profiling: A Use Case in Human Liver Fibrosis

Advanced Science, EarlyView.
Optimized freeze‐drying and eosin staining deliver artifact‐free micro‐CT images of liver tissue at near‐histological detail, then hand the same specimen back for sectioning, staining, and sequencing. Fibrotic volume distinguishes normal liver from cirrhosis, while preserved RNA reveals inflammatory gene upregulation—one biopsy, three dimensions, and a
Kristijan Skok, Laura Činč Ćurić, Jernej Vajda, Silvia Schauer, Martin Wagner, Rudolf Stauber, Carolin Lackner, Karl Kashofer, Markus Plass, Giovanny Rodriguez Blanco, Ian R. Wanless, Uroš Maver, Katrin Panzitt, Boštjan Vihar   +13 more
wiley   +1 more source

A Hierarchical Multimodal Knowledge Graph for Neural Cell-Type-Specific Regulation Integrating Single-Cell Transcriptomics and Literature Evidence. [PDF]

Int J Mol Sci
Chen C, Ni X, Min Y, Wang Z, Xu Z, Zhang Y, Yu H.   +6 more
europepmc   +1 more source

Symbiont‐Induced HSP83 Establishes Two‐Tiered Control of Antifungal Immunity in an Invasive Beetle–Fungus Complex

Advanced Science, EarlyView.
In an invasive beetle–fungus complex, the mutualist Leptographium procerum induces host HSP83 and modulates Toll‐dependent antifungal immunity. HSP83 mediates two‐tiered control by associating with selected fungal recognition receptors and restraining Dorsal‐driven antimicrobial peptide transcription.
Qingtai Yang, Zhudong Liu, Yuqiao Yin, Jing Su, Dunyang Yu, Longsheng Xing, Zhen Zou, Le Kang, Jianghua Sun   +8 more
wiley   +1 more source

Smart library personalized resource proactive recommendation system integrating user profiling and knowledge graphs. [PDF]

Sci Rep
Xu F.
europepmc   +1 more source