Results 51 to 60 of about 610 (218)

Toward Material‐Specific Peptides From in Silico Guided Peptide Engineering to Target PET in the Presence of PS

Advanced Science, EarlyView.
This work presents a computational–experimental strategy to engineer material‐binding peptides toward polymer specificity. Molecular dynamics simulations identified residues driving polystyrene binding, enabling targeted substitutions that greatly reduced polystyrene affinity while preserving PET binding.
Julian Luka, Marian Bienstein, Jonas Berger, Ulrich Schwaneberg   +3 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

Root‐Inspired Microneedle Patch With Interlocked Rigid‐Soft Architecture for High Tissue‐Adaptiveness

Advanced Science, EarlyView.
A root‐inspired microneedle array patch uses lattice‐based mechanical interlocking to unite rigid microneedles with a flexible substrate. The interlocked rigid–soft architecture improves interfacial bonding, supports stable adhesion on curved and wet tissues under dynamic motion, and provides a versatile platform for robust biointerfacing and future ...
Jongchan Lee, Yeongjun Song, Yonghyun Cho, Hyo In Kim, Dong‐Hyun Youn, Jinbong Park, Seungbeom Choi, Dohyun Kwon, Brian Jun Lee, Sangyul Baik   +9 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

STWave: Fine‐Scale Spatial Structure Discovery in Microscopic‐Resolution Spatial Transcriptomics via Patchwise Wavelet Graphs

Advanced Science, EarlyView.
STWave transforms massive microscopic‐resolution spatial transcriptomics into interpretable fine‐scale tissue maps through patch‐wise inference, wavelet‐based multi‐scale encoding, and dual‐domain reconstruction. It reduces noise while preserving weak spatial signals, enabling efficient analysis of 6 40 000 spots of 2.47 GB GPU memory and revealing ...
Tao Jiang, Songming Zhang, Xiaofeng Chen, Xiongtao Xiao, Wenming Cao, Weikai Li, Tong Zhao, Bing Li, Xinyue Xu, Zhongshan Li   +9 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

Repurposing FDA‐Approved Drugs to Inhibit Fungal PPTases for Broad‐Spectrum Synergy

Advanced Science, EarlyView.
Fungal secondary metabolites serve as crucial virulence effectors; however, the potential of their biosynthetic pathways as antifungal targets remains inadequately comprehended. Repurposed FDA‐approved drugs inhibit fungal PPTase (essential for secondary metabolism) in vivo.
Zili Song, Can Zhao, Qiaoling Wang, Hongjiao Zhang, Xiao Liu, Linqi Wang, Michael Bromley, Wen‐Bing Yin   +7 more
wiley   +1 more source

Tau Aggregate Imaging and Transcriptomics of Alzheimer's Disease Brain at Different Stages of Disease

Advanced Science, EarlyView.
The protein aggregates and gene expression in the middle temporal gyrus (MTG) and somatosensory cortex (SOM) of the postmortem brains of 13 Alzheimer's disease patients were studied in detail, revealing that small hyperphosphorylated tau aggregates increase with Braak stage driven by microglial inflammation.
Elizabeth A. English, Dorothea Böken, Matthew W. Cotton, Matthew R. Cheetham, Johanna S. Jackson, Georg Meisl, John S. H. Danial, Paul M. Matthews, Nurun N. Fancy, David Klenerman   +9 more
wiley   +1 more source

Robots and Minimal, Physics‐Informed Features: A Hybrid Framework for Enzyme Catalysis

Advanced Science, EarlyView.
Robotic experimentation and physics‐informed machine learning combine to predict enzyme substrate scope. With a handful of interpretable features derived from docking and quantum mechanics calculations, our model rivals descriptor‐heavy AI approaches and extrapolates to unseen substrates and enzyme classes.
Natalia Onishchenko, Eric S. Larsen, Govind Paneru, Kisung Lee, Diana V. Kolygina, Yankai Jia, Elizabeth Maria Clarissa, Wai‐Shing Wong, Bartosz A. Grzybowski   +8 more
wiley   +1 more source