Results 191 to 200 of about 119,327 (256)

Structure-Based Virtual Screening of New Skp1 Inhibitor Chemotypes Targeting F-Box Binding Interface. [PDF]

Drug Des Devel Ther
Hussain M, Lu Y, Wang GZ, Tariq M, Zhang J, Zhou GB, Liu J.   +6 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

DFT Calculation-Assisted Virtual Screening to Refine Chiral Phosphoric Acid-Catalyzed Allylboration Enabling Organocatalytic Synthesis of Tetrafibricin C21-C40 Fragment. [PDF]

JACS Au
Umemiya S, Hirata T, Terada M.
europepmc   +1 more source

A Soft Mechanoluminescent Skin for High‐Resolution Optical Tactile Sensing in Human–Machine Interaction

Advanced Science, EarlyView.
A soft mechanoluminescent tactile sensor that converts force directly into light is presented, enabling imaging‐based, wiring‐free touch sensing. By integrating a flexible ML‐skin with CMOS readout, the system achieves high sensitivity, fast response, and high spatial resolution, while maintaining structural simplicity and energy efficiency, offering a
Yu Feng, Qiaojiao Wang, Yehui Liu, Jiankun Li, Senlin Hou, Xiaomeng Yang, Ziyi Li, Yanji Yi, Meng Chen, Guanglie Zhang, Hao Sun, Wen Jung Li   +11 more
wiley   +1 more source

Structure-Based Virtual Screening for KHK-A Inhibitors with Anti-Hepatocellular Carcinoma Activity. [PDF]

Pharmaceuticals (Basel)
Zhu JY, Han XY, Zhou ZY, Guo YY, Duan HT, Shen JJ, Xue ST.   +6 more
europepmc   +1 more source

Shear‐Induced Emergence of Aromatic Superlow‐Friction Interfaces in Amorphous Carbon: Triggering Chemical Impurities and Atomic‐Scale Mechanisms

Advanced Science, EarlyView.
High‐throughput quantum‐mechanical simulations reveal that amorphous carbon undergoes shear‐driven structural transformation into aromatic, graphene‐like interfaces. This mechanochemical process is governed by dopant chemistry: dopants with valency less than four promote the emergence of superlow‐friction amorphous graphene, whereas tetra‐valent ...
Takuya Kuwahara, Koki Horiguchi, Leonhard Mayrhofer, Gianpietro Moras, Michael Moseler   +4 more
wiley   +1 more source

Poliovirus receptor (PVR) expression as a predictor of relapse in colorectal cancer: bioinformatics and virtual screening. [PDF]

Exp Biol Med (Maywood)
Alhudaithi SS, Salih MHR, AlHusseini ZH, Almufadhili SM, Alelayani N, Bakheit AH, Alkahtani HM, Asiri HH, Alshamrani AA, Alhoshani AR, Alotaibi MR, As Sobeai HM.   +11 more
europepmc   +1 more source

Zn(C2H4NO2)2(SO2CH3NH2)2 and Zn(C2H4NO2)2[SO2(NH2)2]: Regulation of Unique ZnO(C2H4NO2)2 Units by Polar Tetrahedrons for Balanced UV Nonlinear Optical Performance

Advanced Science, EarlyView.
The modulation of polar tetrahedra enabled the synthesis of an outstanding short‐wave UV NLO crystal, Zn(C2H4NO2)2[SO2(NH2)2], which achieves a rare balance of a large bandgap (5.93 eV), high birefringence (Δn = 0.126 at 546 nm), and strong SHG response (1.36 × KDP), especially achieving excellent phase‐matching throughout the full transparency range ...
Chenjie Cui, Yuchen Yan, Xin Wen, Jindong Chen, Jiyang Wang, Zhanggui Hu, Ning Ye, Guang Peng   +7 more
wiley   +1 more source

Discovery of a novel Keap1 inhibitor for neurodegeneration through virtual screening and molecular dynamics simulations. [PDF]

PLoS One
Hasan MM, Mostaid MS, Bepari AK, Reza HM, Hossain M.   +4 more
europepmc   +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