Results 81 to 90 of about 4,826 (192)

Artificial Intelligence‐Guided Phenotypic Drug Repurposing Against Streptococcus pneumoniae

Advanced Science, EarlyView.
Integrated artificial intelligence (AI) ensembles identify highly potent repurposed drugs against Streptococcus pneumoniae. Prospective virtual screening of 6747 drugs uncovers nine active candidates, including thiostrepton. This drug exhibits low picomolar potency and bypasses established resistance in multidrug‐resistant strains, demonstrating an ...
Joshua S. Fitch, Muhammad D. Ariadi, Min Jung Kwun, Leonie Howells, Saiveth Hernandez‐Hernandez, Nicholas J. Croucher, Pedro J. Ballester   +6 more
wiley   +1 more source

SemanticST: A Scalable Multi‐Contextual Graph Learning Framework for Uncovering Spatial Niches and Robust Multi‐Sample Integration in Spatial Transcriptomics

Advanced Science, EarlyView.
Technical limitations often let dominant signals overshadow rare cell types and fine‐grained heterogeneity in spatial transcriptomics. SemanticST, a graph neural network using multi‐semantic graph fusion and a novel min‐cut loss, recovers these subtle patterns.
Roxana Zahedi, Ahmadreza Argha, Nona Farbehi, Ivan Bakhshayeshi, Thantrira Porntaveetus, Youqiong Ye, Nigel H. Lovell, Hamid Alinejad‐Rokny   +7 more
wiley   +1 more source

6.1% Volumetric Negative Thermal Expansion Induced by the Reversible Reconstructive Phase Transition in Pb‐Free Bi1−xLnxCoO3 (Ln: Lanthanoid)

Advanced Science, EarlyView.
Perovskite‐type oxide lanthanoid‐substituted BiCoO3 exhibits a reversible negative thermal expansion (NTE) originated from the coordination change from the CoO5 pyramid to the CoO6 octahedron due to melting of the dxy orbital ordering in the d6 electron configuration, and the 6.1% volume shrinkage in Bi0.82Nd0.18CoO3 is the largest ever observed in the
Yuki Sakai, Kazuki Takahashi, Shogo Wakazaki, Takumi Nishikubo, Jun Miyake, Takehiro Koike, Teppei Nagase, Takafumi Yamamoto, Kano Hatayama, Masaichiro Mizumaki, Masaki Azuma   +10 more
wiley   +1 more source

Neuromorphic Devices and Computing for Sensing, Memory, and Control

Advanced Science, EarlyView.
This review introduces neuromorphic devices made from diverse materials. These devices mimic neuronal functions and architectures and, when integrated with artificial or biological computing, can form closed loops with neurons for pressure, optical, acoustic, and biochemical sensing and modulation.
Zhengguang Zhu, Nicholas Schaffer, Xiao Yang   +2 more
wiley   +1 more source

Computationally Evidence‐Grounded Sequence‐First Design of Peptide Binders

Advanced Science, EarlyView.
BOND‐PEP enables controllable, sequence‐first peptide binder design by grounding generation in binding evidence retrieved for each target. It uses topology‐conditioned message passing to integrate relevant peptide examples with the target protein sequence, forming a residue‐level representation that guides the generation of diverse, target‐specific ...
Wenze Ding
wiley   +1 more source

Application and Single‐Cell Regulation Mechanism of Engineered EVs Combined With 4D‐Printed Hydrogel for Infected Burn Repair

Advanced Science, EarlyView.
4D bioprinted hydrogel loaded with FGF2‐modified extracellular vesicles (4D@F‐EVs) targets dermal fibroblasts and elevates local wound FGF2 levels via sustained release of F‐EVs. It activates PI3K‐Akt signaling, restores critical KGF+ fibroblast–KGFR+ keratinocyte crosstalk, enhances robust angiogenesis and collagen deposition to efficiently repair ...
Xiaomin Wang, Xiaoyan Li, Xiao Xu, Kelun Zhang, Fengjiao Yu, Zhen Shang, Nailong Pan, Junlin Lv, Yiwei Xu, Yan Tang, Liang Zhang, Xiaotong Li, Taoyi Wang, Jing Tao, Jiaxu Song, Mengyu Zhang, Xin Ma, Dan Han, Xiaoying Kong, Wenhua Xu   +19 more
wiley   +1 more source

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

Switching Spike Plasticity Shapes ACE2 Engagement Across SARS‐CoV‐2 Variants

Advanced Science, EarlyView.
Conformational plasticity governs SARS‐CoV‐2 spike function and ACE2 recognition. Using high‐speed AFM and single‐molecule force spectroscopy, we analyzed the ancestral spike and nine variants, revealing progressive rigidification from Delta, variable plasticity in Omicron sublineages, and JN.1 compaction.
Sarah Stainer, Rong Zhu, Manuel Reithofer, Gerhard Stadlmayr, Katharina Stadlbauer, Panchika Prangkio, Christoph Rippel, Markus Hahn, Aniko Eva Kasztner, Stefanie Stohl, Petr Bednar, Daniel Ruzek, David Glück, Robert Tampé, Gordana Wozniak‐Knopp, Yoo Jin Oh, Miriam Klausberger, Peter Hinterdorfer   +17 more
wiley   +1 more source

Supramolecular Degraders: An Emerging Paradigm in Targeted Protein Degradation

Advanced Science, EarlyView.
Dynamic supramolecular assembly reshapes targeted protein degradation by coordinating modular degrader construction, delivery, functional integration, and intracellular assembly or activation across proteasomal, endosomal–lysosomal, and autophagy–lysosomal pathways.
Kongjun Liu, Xue Yuan, Yan Zhou, Rui Yuan, Shaocheng Xie, Yong Chen, Peiyi Wang, Jianmei Gao, Qihai Gong   +8 more
wiley   +1 more source