Results 191 to 200 of about 513,384 (266)

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

Advanced 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, Zijie Chen, Yurong Li, Meijing Fang, Longji Shen, Yilong Su, Odin Zhang, Qinghan Wang, Qun Su, Jike Wang, Tingjun Hou, Yu Kang   +11 more
wiley   +1 more source

Examining the Social and Mental Health Benefits of Virtual and In-Person Physical Activity Intervention Among Postsecondary Students: Quasi-Experimental Study. [PDF]

JMIR Ment Health
deJonge ML, Nesbitt AE, Darnell SC, Hamza CA, Sabiston CM.   +4 more
europepmc   +1 more source

WTAP‐Mediated m6A Modification Targets the LRP1‐Lipid Metabolism Axis to Regulate Joint Cartilage Regeneration

Advanced Science, EarlyView.
WTAP drives cartilage regeneration by activating an LRP1‐dependent lipid metabolic program in macrophages, enhancing IL‐10 and TGF‐β secretion to promote chondrogenic differentiation. Leveraging this mechanism, virtual screening identifies LRP1‐targeting compounds that effectively stimulate cartilage repair, highlighting a druggable epigenetic ...
Chenyan Huang, Chenyu Deng, Zhengrong Gao, Chen Chen, Huimin Zheng, Yue Yang, Yan Wei   +6 more
wiley   +1 more source

Accuracy of final canine retraction with and without a palatal power arm using in-house clear aligners: a randomized clinical trial. [PDF]

Prog Orthod
Wonghinkong S, Vongtiang N, Eurutairat S, Manopatanakul S, Santiwong P, Viwattanatipa N.   +5 more
europepmc   +1 more source

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

Advanced 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, Hongru Wang, Yi Yang, Yuhang Xie, Yuan Zhang, Zhiye Du, Yi Huang, Wei Guo, Yang Li, Shidong Wang   +9 more
wiley   +1 more source

Decoupling Intrinsic Molecular Efficacy From Platform Effects: An Interpretable Machine Learning Framework for Unbiased Perovskite Passivator Discovery

Advanced Science, EarlyView.
This study establishes an interpretable machine learning framework that disentangles the intrinsic molecular efficacy of passivators from experimental platform effects—enabling unbiased, high‐throughput discovery of effective perovskite surface modifiers.
Jing Zhang, Ziyuan Li, Shan Gao, Zhen Zhu, Jing Wang, Xiangmei Duan   +5 more
wiley   +1 more source

Is There Bias in Virtual Interviews for Emergency Medicine Residency? [PDF]

Cureus
Morgan MW, Baggett ND, Greenwalt KM, Gorman GM.   +3 more
europepmc   +1 more source

A Soft Mechanoluminescent Skin for High‐Resolution Optical Tactile Sensing in Human–Machine Interaction

Advanced Science, EarlyView.
A soft mechanoluminescent tactile sensor that converts force directly into light is presented, enabling imaging‐based, wiring‐free touch sensing. By integrating a flexible ML‐skin with CMOS readout, the system achieves high sensitivity, fast response, and high spatial resolution, while maintaining structural simplicity and energy efficiency, offering a
Yu Feng, Qiaojiao Wang, Yehui Liu, Jiankun Li, Senlin Hou, Xiaomeng Yang, Ziyi Li, Yanji Yi, Meng Chen, Guanglie Zhang, Hao Sun, Wen Jung Li   +11 more
wiley   +1 more source

Attention-guided and MIL-constrained CycleGAN for high-fidelity virtual p16 and Ki-67 staining. [PDF]

Front Med Technol
Lei X, Xie Y, Duan A, Wu Y, Liao L, Wang X.   +5 more
europepmc   +1 more source

Shear‐Induced Emergence of Aromatic Superlow‐Friction Interfaces in Amorphous Carbon: Triggering Chemical Impurities and Atomic‐Scale Mechanisms

Advanced Science, EarlyView.
High‐throughput quantum‐mechanical simulations reveal that amorphous carbon undergoes shear‐driven structural transformation into aromatic, graphene‐like interfaces. This mechanochemical process is governed by dopant chemistry: dopants with valency less than four promote the emergence of superlow‐friction amorphous graphene, whereas tetra‐valent ...
Takuya Kuwahara, Koki Horiguchi, Leonhard Mayrhofer, Gianpietro Moras, Michael Moseler   +4 more
wiley   +1 more source