Results 181 to 190 of about 1,417 (232)

Triple‐Mode Ferroelectric Thin‐Film Transistor for Hybrid Electrical–Optical Reservoir Computing

Advanced Science, EarlyView.
A triple‐mode ferroelectric thin‐film transistor is developed by integrating Si3N4/HZO/IGZO layers to realize three independent memory modes: electric long‐term, electric short‐term, and optical short‐term. This single‐device architecture functions as both a reservoir and readout layer, achieving 92.43% MNIST accuracy. It offers a fully hardware‐based,
Hyeonho Lee, Seungjun Lee, Tae‐Hyeon Kim, Yonghee Jeong, Gwangmin An, Minsu Ko, Junsu Yu, Heung Soo Kim, Yang Chai, Sungjun Kim   +9 more
wiley   +1 more source

Mapping Still Matters: Coarse-Graining with Machine Learning Potentials. [PDF]

J Chem Inf Model
Görlich F, Zavadlav J.
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

Guiding Similarity Search in Chemical Fragment Spaces with Weighted Fingerprints. [PDF]

J Chem Inf Model
Lübbers J, Schokolowski M, Lessel U, Weber A, Rarey M.   +4 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

Parameterizing non-canonical amino acids for cyclic peptide simulations. [PDF]

Methods Enzymol
Wijesiri NK, Brown BP.
europepmc   +1 more source

Rational Design of Weakly‐Solvating Molecules for Salt‐In‐Pre‐Ionic‐Liquid Electrolytes for Li Metal Batteries

Advanced Science, EarlyView.
The weakly‐solvating TFMSPyr electrolyte tailors the Li+ solvation structure by suppressing solvent coordination and promoting anion‐dominated solvation. This unique solvation environment induces preferential anion decomposition at electrode interfaces, forming robust inorganic rich S/CEI.
Bishnu P. Thapaliya, Vaidyanathan Sethuraman, Naresh C. Osti, Arvind Ganesan, K. Shawn Reeves, Michael J. Zachman, Albina Y. Borisevich, Harry M. Meyer III, Xiao‐Guang Sun, Eugene Mamontov, Lei Cheng, Sheng Dai   +11 more
wiley   +1 more source

In Silico Approach for Early Antimalarial Drug Discovery: De Novo Design of Virtual Multi-Strain Antiplasmodial Inhibitors. [PDF]

Microorganisms
Kleandrova VV, Cordeiro MNDS, Speck-Planche A.   +2 more
europepmc   +1 more source

A Bone Marrow–Mimetic Hydrogel Enables Dual‐Phase Hemostasis and Vascularized Osteogenesis for Cranial Defects

Advanced Science, EarlyView.
A biomimetic, fiber‐reinforced hydrogel (FE‐PDA@Fib/Gel‐TG) that enables dual‐phase cranial defect repair. The system provides: instant hemostasis in the early stage, and sustained co‐delivery of pro‐angiogenic and osteogenic signals for synergistic vascularized bone regeneration.
Lingbin Che, Donghong Li, Huan Zhang, Tingting Xu, Juhan Li, Xuanzhou Chen, Louis D. Zhang, Shuguang Wang, Dianwen Song, Dongyong Sha   +9 more
wiley   +1 more source

Predictive Quantum Vibrational Spectra through Active Learning 4G-NNPs. [PDF]

J Phys Chem Lett
Faruque MO, Limbu DK, London N, Momeni MR.   +3 more
europepmc   +1 more source