Results 221 to 230 of about 6,745,331 (273)

Computationally Evidence‐Grounded Sequence‐First Design of Peptide Binders

open access: yesAdvanced 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

Inverse Design of Pre‐Strain via a Predictive Electromechanical Model for Enhanced Strain Sensing

open access: yesAdvanced Science, EarlyView.
An analytical electromechanical model rooted in microcrack evolution mechanics is globally calibrated from only eight pre‐strain datasets, enabling prediction of the complete sensing response at untested pre‐strain values within the calibrated design space (R2 > 0.99).
Jia‐Chen Shang   +10 more
wiley   +1 more source

Enhancing Near‐Room‐Temperature Thermoelectric Performance of n‐Type Mg3(Sb, Bi)2‐Based Materials via ZrB2 Heterointerface Engineering

open access: yesAdvanced Science, EarlyView.
A conductive ZrB2 ceramic composite strategy was developed for Mg3(Sb, Bi)2 thermoelectrics to regulate carrier transport and phonon scattering through heterointerface engineering. The 1.0 wt.% ZrB2 composite achieved enhanced room‐temperature performance, with a power factor of 28.51 µW cm−1 K−2 and a peak ZT of 1.22 at 573 K.
Yangyang Xu   +7 more
wiley   +1 more source

A Decoy‐Receptor‐Armed Biomimetic Nanotherapeutic With Inherent Tropism for Conserved Pathogenic Macrophages for Treating Osteoarthritis and Intervertebral Disc Degeneration

open access: yesAdvanced Science, EarlyView.
A biomimetic doppelgänger nanosystem neutralizes extracellular inflammatory cytokines and silences intracellular pyroptosis, reprogramming pathogenic macrophages to attenuate both joint and spine degeneration. ABSTRACT Osteoarthritis (OA) and intervertebral disc degeneration (IVDD) are debilitating musculoskeletal disorders driven by shared ...
Fudong Li   +9 more
wiley   +1 more source

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

open access: yesAdvanced 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   +6 more
wiley   +1 more source

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