Results 181 to 190 of about 2,477,505 (293)

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

Advanced 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, Qianqian Zhang, Chenhao Wang, Zhiheng Yi, Alex Jinpeng Wang, Jing Tang, Min Li   +6 more
wiley   +1 more source

Subjective-objective fit in tennis racket string-tension selection: perceived comfort, hitting performance, and fastest swing-speed associations. [PDF]

Front Psychol
Yang JJ, Sun B, Ren J.
europepmc   +1 more source

Polymer Concepts in Cellular Function

Advanced Science, EarlyView.
Miao Yu, Shikha Dhiman, Dorothee Dormann, Frauke Gräter, Katja Luck, Friederike Schmid, Andreas Walther, Edward A. Lemke   +7 more
wiley   +1 more source

Engineered Cyanobacteria‐Hydrogel Microecological System for Oxygen Reprogramming Synergizes Immunomodulation With Anabolism in Osteoarthritis Therapy

Advanced Science, EarlyView.
An injectable cyanobacteria‐laden hydrogel enables light‐dependent oxygen metabolism engineering for osteoarthritis therapy. Photosynthetic oxygen release under red light irradiation suppresses synovial inflammation via HIF‐1α inhibition and M2 macrophage polarization, while respiratory oxygen consumption in darkness stabilizes chondrocyte HIF‐1α to ...
Lerong Yang, Chong Shen, Hongjun Huang, Siyi Liu, Zeyu Huang, Licheng Xi, Huan Cao, Li Zheng, Zainen Qin   +8 more
wiley   +1 more source

System level identification and multidimensional analysis of hub genes reveal complex regulatory networks underlying human iPSC differentiation into motor neurons. [PDF]

Biochem Biophys Rep
Sadeghi M, Hadifar S, Ghorbani A.
europepmc   +1 more source

Uncoupling Type I Interferon Benefits From Inflammatory Toxicity: Transformer‐Prioritized Precision Agonists for Potent and Safer Cancer Immunotherapy

Advanced Science, EarlyView.
A Transformer‐based AI framework, DLINP, screens millions of compounds to identify Co68, a cobalt‐pincer organometallic complex that biases TLR4‐MD2 signaling toward antitumor interferon activation while suppressing inflammatory toxicity through an early TLR4‐SYK‐STAT1 axis.
Xuefei Guo, Yang Zhao, Xianle Rong, Xingyu Chen, Xiao Wang, Tianyi Liu, Yunfei Xie, Yushu Zou, Pingsen Zhao, Qiang Liu, Fuping You   +10 more
wiley   +1 more source

Impact of cigarette toxicants on sarcopenic obesity: An in silico network toxicology and molecular dynamics study. [PDF]

Tob Induc Dis
Li Z, Li D, Huang Y, Liu Y, Ouyang X, Xu Y, Wu W, Zhong Y, Wang M.   +8 more
europepmc   +1 more source

Dual‐Gene Edited Extracellular Vesicles Remodel the Redox Homeostasis to Inhibit Ferroptosis in Intervertebral Disc Degeneration

Advanced Science, EarlyView.
ABSTRACT Intervertebral disc degeneration (IDD) is driven by ferroptosis of nucleus pulposus cells (NPCs) as a core pathological mechanism. Nucleus pulposus progenitor cells (NPPCs), exhibiting stem cell‐like properties, yield extracellular vesicles (PEVs) with high affinity for NPCs and enable targeted phenotypic regulation.
Jing Yan, Yazhou Lin, Shuo Miao, Minghao Chao, Chengbai Dai, Ziwen Hao, Rui Chen, Ming Guan, Bin Pan, Fenglei Gao, Quan Zhou   +10 more
wiley   +1 more source

Physics-Informed CNN-BiGRU Model for Downhole Weight-on-Bit Prediction Using Surface Measurement-While-Drilling Sensor Data in Horizontal Wells. [PDF]

Sensors (Basel)
Wu Z, Song L, Xu J, Chen J, Wang T, Wang Q, Wang S.   +6 more
europepmc   +1 more source

A Unified Hierarchical Multiscale Fusion Framework for Drug–Target Affinity Prediction: From Benchmark Performance to Nanomolar Inhibitor Discovery

Advanced Science, EarlyView.
A multimodal fusion framework integrating sequence, atomic, and fragment representations captures drug–target interactions across multiple scales. The model delivers strong predictive performance and enables efficient virtual screening. Applied to hematopoietic progenitor kinase 1 (HPK1), it identifies structurally diverse inhibitors with nanomolar ...
Shuo Liu, Xiang Zhang, Haixia Feng, Yuquan Li, Xiaoqing Gong, Yong Liang, Xiaojun Yao, Huanxiang Liu   +7 more
wiley   +1 more source