Results 151 to 160 of about 4,704 (296)

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

Advanced 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, Xiaoqing Gong, Shukai Gu, Jing Li, Bo Liu, Yanan Tian, Qianqian Zhang, Xiaojun Yao, Huanxiang Liu   +8 more
wiley   +1 more source

Self‐Adaptive Non‐Flammable Wallpaper With Layered Bead‐Network Structure for Light Path Modulation Enabling on‐Demand Building Thermal Management

Advanced Science, EarlyView.
A layered bead‐network wallpaper is designed to modulate the light propagation path, overcoming the color residue limitations of thermochromic components for efficient automatic switching between radiative cooling and solar heating modes. The layered bead‐network wallpaper provides passive, all‐season thermal regulation while offering self‐cleaning and
Jianyu Wu, Linmin Xia, Jiankun Wu, Yuying Yang, Wuhong Zhong, Jianguo Li, Yan Yu, Rilong Yang   +7 more
wiley   +1 more source

Beyond Percolation: Graphene‐Enabled Network Reinforcement Enhances Thermal Transport in Paraffin Phase‐Change Composites

Advanced Science, EarlyView.
Expanded‐graphite/graphene‐nanoplatelet hybrids deliver a near‐order‐of‐magnitude thermal‐conductivity enhancement in paraffin phase‐change materials. A microCT‐informed 3D modeling framework resolves the percolating EG backbone and captures sub‐voxel GNP enrichment, quantitatively linking microstructure to heat flow and revealing a graphene‐enabled ...
Thomas Hoke, Jackson Hoke, Shucheng Guo, Brittany Chan, Xi Chen   +4 more
wiley   +1 more source

Sensitivity in phononic crystal sensors via super asymmetric coupled-cavity engineering. [PDF]

Sci Rep
Aly AH.
europepmc   +1 more source

Dislocation‐Mediated Lattice Distortion and Griffiths Phase Behavior in Melt‐Spun Ni2MnSb Ribbons

Advanced Science, EarlyView.
This figure illustrates how melt‐spinning introduces dislocations into Ni2MnSb Heusler alloys. TEM images reveal local lattice distortions and associated strain fields surrounding dislocations at a representative wheel speed. As wheel speed increases, these distortions promote the formation of ferromagnetic clusters within a paramagnetic matrix ...
Kun Wang, Siying Yu, Qizhong Zhao, Jiale Guo, Minxia Fang, Yichuan Tang, Pengqaing Hu, Yin Zhang, Chao Zhou, Kaiyan Cao, Fanghua Tian, Sen Yang   +11 more
wiley   +1 more source

On Numerical and Analytical Investigation of the Effectiveness of Strengthening of Steel Columns-Case Study. [PDF]

Materials (Basel)
Szafran J, Świątkiewicz P, Kaszubska P.   +2 more
europepmc   +1 more source

AI‐Physics‐Experiment Trinity for Integrated Protein Dynamics Modeling

Advanced Science, EarlyView.
This review unites experiments, physics‐based simulations, and AI as a synergistic triad for protein dynamics modeling. It highlights integrative strategies, resolves sampling and forcefield bottlenecks, and outlines challenges and future directions for accurate, interpretable conformational ensemble prediction.
Chen Shi, Minying Low, Peng Xiu, Kresten Lindorff‐Larsen, Yong Wang   +4 more
wiley   +1 more source

Buckling and Post-Buckling Behaviour of a Carbon Fibre-Reinforced Polymer Stiffened Panel: A Numerical and Experimental Study. [PDF]

Polymers (Basel)
Sellitto A, Russo A, Zarrelli M, Vinti V, Trinchillo L, Perugini P, Riccio A.   +6 more
europepmc   +1 more source

SPADE: A Deep Learning Framework for Spatial Mapping and Quantitative Cell–Cell Interaction Inference

Advanced Science, EarlyView.
SPADE integrates spatial transcriptomics with single‐cell RNA sequencing by using cell–cell communications (CCC) as a guide for spatial mapping. It improves cell‐type localization, enhances sparse gene‐expression signals, and reveals CCC programs at single‐spot resolution.
Xinyi Li, Ning Zhang, Zijie Jin
wiley   +1 more source

Frictional moving load-induced dynamic response of a porous piezoelectric micro/nano plate with superficial parabolic discontinuity. [PDF]

Sci Rep
Meghana AR, Das S, Dutta R, Gupta V, Yaylacı M, Almalki FMK, Ghatasheh M, Flah A.   +7 more
europepmc   +1 more source