Results 181 to 190 of about 1,749,971 (267)

Revisiting Target‐Aware de novo Molecular Generation with TarPass: Between Rational Design and Texas Sharpshooter

open access: yesAdvanced Science, EarlyView.
TarPass provides a rigorous benchmark for target‐aware de novo molecular generation by jointly evaluating protein‐ligand interactions, molecular plausibility, and drug‐likeness on 18 well‐studied targets. Results show that current models often fail to consistently surpass random baseline in target‐specific enrichment, while post hoc multi‐tier virtual ...
Rui Qin   +11 more
wiley   +1 more source

Topology‐Enriched Toughness Enhancement in Quasi‐Periodic Metastructures Featuring Tailorable Strong‐Weak Network

open access: yesAdvanced Science, EarlyView.
A quasi‐periodic Dart‐Kite (QDK) metastructure with a golden‐ratio‐constrained strong–weak bond network simultaneously enhances strength, toughness, and damage tolerance. Its distributed topology enables predictable, tailorable crack paths for precise fracture control and stable mechanics, demonstrating a high‐performance, controllable architecture ...
Tianyu Gao   +3 more
wiley   +1 more source

Allosteric DNAzyme‐Enabled Sensitive and Multiplex Detection of Biomarkers for Rapid Diagnosis of Urinary Tract Infections

open access: yesAdvanced Science, EarlyView.
A catalytic allosteric DNAzyme assay (SMART) is developed by engineering DNAzyme into a unimolecular biosensor, enabling highly sensitive and multiplex detection of small molecules and nucleic acids. SMART enables extraction‐free, one‐pot, one‐step, isothermal, and cost‐effective detection of biological markers, achieving >95% accuracy for rapid ...
Yanzhe Shen   +12 more
wiley   +1 more source

Giant Conductivity Modulation and Chemical Neuromodulation via Proton‐Electron Coupling in a Hydrogen‐Bonded Coordination Polymer

open access: yesAdvanced Science, EarlyView.
A “de‐doping” strategy positions mixed protonic–electronic conductors (MPECs) as adaptive neuromorphic platforms with dynamically tunable transport. Co‐BAND achieves giant conductivity modulation (>106) and chemically tunable synaptic plasticity. Analogous to biological neuromodulation, solvent vapors dynamically reprogram the device's learning rules ...
Kwangmin Park   +10 more
wiley   +1 more source

A Crack‐Based One‐Dimensional Microspheres Array Enables Thermal–Mechanical Decoupled Dual‐Functional Sensing

open access: yesAdvanced Science, EarlyView.
Inspired by Nostoc, a crack‐based one‐dimensional microspheres array (COMA) sensor is developed, which stabilizes crack geometry under isotropic expansion, enabling a predictable, monotonic thermal response from which true strain can be accurately extracted. The COMA sensor exhibits high sensitivity at ultralow deformation (gauge factor up to 89) and a
Wanqing Xu   +7 more
wiley   +1 more source

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