Results 181 to 190 of about 3,589,353 (244)

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

Advanced 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, Qianqian Zhang, Chenhao Wang, Zhiheng Yi, Alex Jinpeng Wang, Jing Tang, Min Li   +6 more
wiley   +1 more source

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

Advanced 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, Yang Zhao, Xianle Rong, Xingyu Chen, Xiao Wang, Tianyi Liu, Yunfei Xie, Yushu Zou, Pingsen Zhao, Qiang Liu, Fuping You   +10 more
wiley   +1 more source

α‐Synuclein Forms Distinct Micelle‐Like Assemblies at Low Ionic Strengths

Advanced Science, EarlyView.
At high ionic strength, α‐synuclein forms diverse assemblies, including oligomers, fibrils, and condensates. Here, we show that at low ionic strength, α‐synuclein adopts a distinct, low‐abundance assembly state. These assemblies maintain a constant size above a critical concentration and do not coalesce, suggesting a micelle‐like organization ...
Sophie Hertel, Soumik Ray, Federica Saraceno, Giacomo Nisini, Georgia Nasi, Thomas Oliver Mason, Antonin Kunka, Effrosyni Agrimaki, Dannie Juul Olesen, Francesco Simone Ruggeri, Alexander K. Buell   +10 more
wiley   +1 more source

Revealing the Underlying Mechanisms in Performance Enhancement of Shellular Lattice Electrodes During Anion Exchange Membrane Water Electrolysis Process

Advanced Science, EarlyView.
Micro laser powder bed fusion enables architected nickel shellular lattice gas diffusion layers for anion exchange membrane water electrolysis. Among regular open cell geometries, the Gyroid lattice promotes bubble release, convective reactant replenishment and continuous electron transport, delivering low overpotentials, enhanced charge transfer and ...
Tianxiao Niu, Rui Li, Xiao Chen, Deyong Sun, Tianyu Gao, Junhao Ding, Shuo Qu, Xu Song   +7 more
wiley   +1 more source

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

ZrCo3B2 and HfCo3B2 Electrodes Go on Stage for Oxygen Evolution Reaction

Advanced Science, EarlyView.
The intermetallic compounds ZrCo3B2 and HfCo3B2 with distinctive chemical bonding features are excellent OER precursors, restructuring into OER‐active electrocatalysts delivering significantly high OER activities compared to the elemental Co, which is obvious from their lower onset potentials and increased obtained current densities.
Fatma Aras, Ulrich Burkhardt, Simone G. Altendorf, Yuri Grin, Iryna Antonyshyn   +4 more
wiley   +1 more source

A Reconfigurable Memristive Spiking Neuron Enabling Advanced Neuromorphic Computing

Advanced Science, EarlyView.
Pek Jun Tiw and co‐workers develop a reconfigurable memristive neuron that can exhibit four spiking behaviors with freely tunable spike train parameters. The neuron supports multiplexed spike encoding of multiple pieces of information. It also supports advanced neural network strategies, such as neural heterogeneity and dynamic mode switching ...
Pek Jun Tiw, Yuqi Li, Zhongyuan Li, Qihang Ding, Yuzhe Wang, Jiarong Wang, Yuchao Yang   +6 more
wiley   +1 more source

Structural Basis of Shiga Toxin Neutralization by Human Antibodies Targeting Canonical Receptor‐Binding and Non‐Canonical Assembly Sites

Advanced Science, EarlyView.
Cryo‐electron microscopy structures reveal two distinct neutralization mechanisms of fully human monoclonal antibodies targeting the Shiga toxin 1a B subunit. RDS059 occludes the Gb3 receptor‐binding site, whereas RDS045 engages a lateral quaternary epitope to disrupt holotoxin assembly.
Jianting Ke, Xin Li, Xiaoli Wang, Zhaoxia Huang, Shaojie Xue, Yuyang Liu, Jing Pan, Guowei Hu, Yayu Wang, Cheng Wang, Shoudeng Chen   +10 more
wiley   +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

Disorder Driven Anisotropic Nonlinear Hall Effect in the Kagome Metal YbCo6Ge6 at Room Temperature

Advanced Science, EarlyView.
The intrinsic structural disorder and short‐range correlated motifs in the kagome metal YbCo6Ge6 constitute the primary mechanism for a robust and anisotropic nonlinear Hall effect (NLHE). This effect is sustained across a wide temperature range, achieving a nonlinear responsivity of up to ∼4.5 × 10−3 m/V at 70 K, higher than known disordered and ...
Qurat Ul Ain, Weiyao Zhao, Thanh Tung Huynh, Yuefeng Yin, Fang Tang, Yong Fang, Junlin Yan, Jacek Jasieniak, Timothy Petersen, Yang Liu, Nikhil V. Medhekar, Julie Karel   +11 more
wiley   +1 more source