Results 101 to 110 of about 953 (170)

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

Enhanced Hydrogen Adsorption on In₂O₃(111) via Oxygen Vacancy Engineering. [PDF]

Precis Chem
Ding Y, Chen J, Zheng H, Jiang Y, Li L, Geng X, Lian X, Yang L, Zhang Z, Zhang KH, Li H, Zhong J, Chen W.   +12 more
europepmc   +1 more source

Giant Conductivity Modulation and Chemical Neuromodulation via Proton‐Electron Coupling in a Hydrogen‐Bonded Coordination Polymer

Advanced Science, EarlyView.
A “de‐doping” strategy positions mixed protonic–electronic conductors (MPECs) as adaptive neuromorphic platforms with dynamically tunable transport. Co‐BAND achieves giant conductivity modulation (>106) and chemically tunable synaptic plasticity. Analogous to biological neuromodulation, solvent vapors dynamically reprogram the device's learning rules ...
Kwangmin Park, Jumin Park, Huiyeong Ju, Nasim Arafat, Byoung Gwan Lee, Joohee Oh, Eejin Jang, Hyunseob Lim, Seok Min Yoon, Dae‐Woon Lim, Intek Song   +10 more
wiley   +1 more source

Discovery of crystalline Fe₂O₃ in returned lunar soils. [PDF]

Sci Adv
Liu Y, Cao H, Li R, Chen J, Yin C, Jia Z, Lu X, Qiao L, Fu X, Liu C, Li C, Xin Y, Lu YB, Zeng X, Liu J, Li Y, Ling Z.   +16 more
europepmc   +1 more source

NET‐DNA Activates the ANXA2/TMEM215/BiP Axis to Promote Mitophagy‐Mediated Anoikis Resistance in Endometriosis

Advanced Science, EarlyView.
NET‐DNA is enriched during early endometriotic lesion establishment and drives anoikis resistance by promoting an ANXA2–TMEM215–BiP axis. This pathway strengthens ER–mitochondria contacts, enhances PINK1/Parkin‐associated mitophagy, preserves mitochondrial homeostasis, and supports ectopic stromal cell survival, thereby facilitating lesion persistence ...
Honglin Wang, Yanling Gou, Huiyan Zhang, Hongli Wang, Beidi Wang, Jinming Liu, Yingying Cao, Ruru Bai, Yuxin Zhao, Xu Han, Chao Feng, Xin Huang, Zongfeng Zhang   +12 more
wiley   +1 more source

A Middle Stone Age occupation identified at Baden-Baden in the grasslands of the Free State, South Africa. [PDF]

Sci Rep
Richard M, Bin B, Longet B, Ecker M, Andersen N, Archer W, Gohodzi M, Holt S, Bousman CB, Toffolo MB.   +9 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

The Relationships Between the Eco-Bio-Social Determinants of Dengue Epidemiology in Latin America and the Caribbean: A Scoping Review of the Literature. [PDF]

Ecohealth
Barkhad A, Lecours N, Stevens-Uninsky M, Mbuagbaw L.   +3 more
europepmc   +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

Physical Stability and Molecular Mobility of Resveratrol in a Polyvinylpyrrolidone Matrix. [PDF]

Molecules
Pajzderska A, González MA, Jarek M, Mielcarek J, Wąsicki J.   +4 more
europepmc   +1 more source