Results 191 to 200 of about 72,177 (316)

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

Sticky Yet Slippery: Molecular Ordering Reconciles Bubble‐Surface Affinity With Ultralow Friction at the Nanoscale

open access: yesAdvanced Science, EarlyView.
By engineering the molecular order and thickness of PDMS layers, we reconcile the stickiness and slipperiness during bubble transport. AFM measurements and MD simulations further reveal how these nanoscale architectures tune hydrophobic interaction FHB and friction force f.
Shishuang Zhang   +7 more
wiley   +1 more source

Tunable High‐Performance Metamaterial Filters Based on Novel SRR Architectures

open access: yesAdvanced Science, EarlyView.
Based on two novel SRR configurations and two independent SRR integration approaches, four tunable bandpass metamaterial filters were fabricated with an ultra‐thin ceramic substrate. Among them, SM‐2 achieves over 97% electromagnetic wave transmittance, with a minimal 1.15% deviation in its resonant frequency prediction, making them promising ...
Lingxi Qu   +4 more
wiley   +1 more source

Decoding Spatial Heterogeneity and Multi‐Omics Regulation with Hierarchical Graph Learning

open access: yesAdvanced Science, EarlyView.
ABSTRACT Recent advances in spatial multi‐omics technologies have enabled the simultaneous profiling of multiple molecular layers within the same tissue slice, providing unprecedented opportunities to investigate tissue spatial organization. However, most existing computational methods identify spatial domains in a purely data‐driven manner, rarely ...
Jiazhou Chen   +6 more
wiley   +1 more source

Unraveling the Power of Disorder: A Bioinspired Cuttlebone Structure With Superior Strength, Energy Absorption and Isotropy

open access: yesAdvanced Science, EarlyView.
Cuttlebone‐inspired architected metamaterials introduce controlled structural disorder to simultaneously enhance strength, energy absorption, and compressive stability. Tunable disorder suppresses shear anisotropy, outperforms periodic lattices, and establishes discrete randomness as a robust route to high‐performance lightweight mechanical ...
Zengqin Shi   +7 more
wiley   +1 more source

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