Results 181 to 190 of about 10,792 (307)

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

A Novel Approach Based on Acceptor–Donor–Acceptor Type Molecules Enhances the Therapeutic Efficacy and Safety of Photothermal Therapy for Osteosarcoma

open access: yesAdvanced Science, EarlyView.
Jin et al. developed IEICO‐F nanoparticles with enhanced photothermal conversion efficiency via optimized push‐pull effect. Under 808 nm laser, these nanoparticles effectively generated heat to kill osteosarcoma cells and exhibited significant tumor suppression in vivo. Therefore, this novel A‐D‐A type molecule‐based photothermal therapy strategy holds
Zhijian Jin   +9 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

Altered gait strategies show inconsistent medial compartment unloading in varus medial knee osteoarthritis awaiting high tibial osteotomy. [PDF]

open access: yesClin Biomech (Bristol)
Bowd J   +6 more
europepmc   +1 more source

Electrohydraulic Folding Ring Actuators for Radially Contracting Applications

open access: yesAdvanced Science, EarlyView.
This work presents an Electrohydraulic Folding Ring Actuator that combines high‐performance electrohydraulic actuation with origami‐inspired folding geometry to achieve constricting radial actuation. This integration yields significant inner lumen constriction, alongside a gripping force capable of holding objects exceeding four times the actuator's ...
Gavril Yong En Tan   +4 more
wiley   +1 more source

Diffusion‐Based Generative Model With Scaffold‐Hopping Strategy Yields Highly Potent Bioactive Molecules

open access: yesAdvanced Science, EarlyView.
SMarT‐Diff introduces a multi‐objective generative paradigm that integrates scaffold hopping with structure‐aware scoring to enable controlled exploration beyond the training distribution. The framework consistently balances drug‐likeness, synthesizes accessibility and bioactivity, yielding chemically diverse candidates with enhanced properties.
Yuwei Yang   +8 more
wiley   +1 more source

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