Results 131 to 140 of about 1,652 (302)

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

Sticky Yet Slippery: Molecular Ordering Reconciles Bubble‐Surface Affinity With Ultralow Friction at the Nanoscale

Advanced Science, EarlyView.
By engineering the molecular order and thickness of PDMS layers, we reconcile the stickiness and slipperiness during bubble transport. AFM measurements and MD simulations further reveal how these nanoscale architectures tune hydrophobic interaction FHB and friction force f.
Shishuang Zhang, Jiajun Li, Huadong Tian, Zhoujie Wang, Chenyu Qiao, Jingyi Wang, Lei Xie, Hongbo Zeng   +7 more
wiley   +1 more source

Overall Buckling Behavior and Design of Steel Stiffened Box Section Columns Under Axial Compression

Buildings
This study experimentally and numerically investigated the overall buckling behavior of steel box column components. Two box section specimens were fabricated for axial compression tests.
Bing Shangguan, Jie Li, Qiu Zhao, Peng Chen, Furong Ruan, Huiteng Pei   +5 more
doaj   +1 more source

Unraveling the Power of Disorder: A Bioinspired Cuttlebone Structure With Superior Strength, Energy Absorption and Isotropy

Advanced Science, EarlyView.
Cuttlebone‐inspired architected metamaterials introduce controlled structural disorder to simultaneously enhance strength, energy absorption, and compressive stability. Tunable disorder suppresses shear anisotropy, outperforms periodic lattices, and establishes discrete randomness as a robust route to high‐performance lightweight mechanical ...
Zengqin Shi, Peng Jiang, Xiaoyan Zhu, Suyun Li, Wenqing Wang, Tian Zhao, Rujie He, Ying Li   +7 more
wiley   +1 more source

Nonlinear Vibrations of a SWCNT with Geometrical Imperfection Using Nonlocal Elasticity Theory

, 2017
The nonlinear free vibration and frequency veering of a single wall carbon nanotube (SWCNT) based on nonlocal elasticity theory is studied and investigated in this paper.
Mu’tasim S. Abdel-Jaber, Ahmad A Al-Qaisia, Nasim K Shatarat   +2 more
core   +1 more source

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

Influence of initial geometric imperfections on the stability of thick cylindrical shells under internal pressure

, 2006
International audienceThis paper investigates numerically and experimentally the influence of initial geometric imperfections on the critical loads of initially stretched thick hyperelastic cylindrical shells under increasing uniform internal pressure ...
Lopes, Stefane, Pamplona, Djenane, Gonçalves, Paul   +2 more
core   +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

Modelling Buckling and Post-buckling Behaviours of Corrugated Paperboard Structures

, 2012
The buckling and post-buckling behaviours of corrugated paperboard packaging structures are the focus of this study. The motivations for this study are to improve understanding of post-buckling behaviour to better predict packaging performance and ...
Kueh, Celia Swee Li
core  

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