Results 151 to 160 of about 1,090,679 (278)

A Unified Hierarchical Multiscale Fusion Framework for Drug–Target Affinity Prediction: From Benchmark Performance to Nanomolar Inhibitor Discovery

Advanced Science, EarlyView.
A multimodal fusion framework integrating sequence, atomic, and fragment representations captures drug–target interactions across multiple scales. The model delivers strong predictive performance and enables efficient virtual screening. Applied to hematopoietic progenitor kinase 1 (HPK1), it identifies structurally diverse inhibitors with nanomolar ...
Shuo Liu, Xiang Zhang, Haixia Feng, Yuquan Li, Xiaoqing Gong, Yong Liang, Xiaojun Yao, Huanxiang Liu   +7 more
wiley   +1 more source

Chiral-Controlled Cyclic Chemiluminescence Reactions for the Analysis of Enantiomer Amino Acids

The similarity and complexity of chiral amino acids (AAs) in complex samples remain a significant challenge in their analysis. In this work, the chiral metal–organic framework (MOF)-controlled cyclic chemiluminescence (CCL) reaction is developed and ...
Gongke Li (1496560), Yufei Hu (1544002), Xiaohua Xiao (2068507), Linyuan Chen (3370196), Ling Xia (43628), Yanhui Zhong (7345679), Yanlong Chen (3200772)   +6 more
core   +1 more source

Similarity‐Enhanced Representation Learning of Non‐Canonical Amino Acids for Therapeutic Peptide Modeling

Advanced Science, EarlyView.
Non‐canonical amino acids (ncAAs) enhance peptide therapeutics but remain difficult to model computationally. SinCAA, a similarity‐enhanced pretraining framework, jointly optimizes contrastive learning guided by a novel conformational similarity metric with masked node reconstruction, capturing both functional relationships and chemical identity of ...
Chencheng Xu, Lesong Wei, Jianmin Wang, Yuanpeng Xiong, Ruochi Zhang, Yu Wang, Chao Zha, Qiangcheng Zeng, Xin Gao   +8 more
wiley   +1 more source

Atomic-scale engineering of Pt shells on chiral Au nanoparticles for enhanced oxygen reduction. [PDF]

Nat Commun
Wang Z, Zhang B, Ding J, Tao Y, Sun L, Zhang Q.   +5 more
europepmc   +1 more source

Micro/Nanoscale Acoustic Manipulation: From Particle Control to Autonomous Microswimmers

Advanced Science, EarlyView.
This conceptual framework illustrates acoustic technology as a multifunctional platform enabling passive particle manipulation across scales and autonomous propulsion of microswimmers. ABSTRACT Acoustic manipulation and propulsion technologies have emerged as powerful platforms for micro/nanoscale control, enabled by their non‐contact operation, label ...
Jiahui Chu, Lemin Zhang, Xu Wang, Wenzong Li, Yahua Liu   +4 more
wiley   +1 more source

Chirality-induced magnetoresistance in hybrid organic-inorganic perovskite semiconductors. [PDF]

Sci Adv
Haque MA, Theiler PM, Leahy IA, Harvey SP, Tan J, Hautzinger MP, Taddei M, McConnell A, Grieder A, Comstock AH, Dong Y, Alberi K, Ping Y, Sercel PC, Luther JM, Sun D, Beard MC.   +16 more
europepmc   +1 more source

Dual‐Functional Terahertz Manipulation of EuBa2Cu3O7 Superconductors via Cooper Pair Dynamics

Advanced Science, EarlyView.
We use a spintronic‐metasurface THz emitter to realize chiral THz generation. Using polarization‐tunable THz pulses, we investigate equilibrium and photoinduced THz responses in a 43 nm thick EuBa2Cu3O7 (EBCO) thin film. The EBCO film achieves 46.81 dB EMI shielding and 113% photoinduced THz modulation with 19.0 ps recovery, enabled by Cooper‐pair ...
Zhangshun Li, Meng Yang, Zuanming Jin, Junxue Li, Zhiqiang Lan, Chen Huang, Alexei V. Balakin, Alexander P. Shkurinov, Yan Peng, Yiming Zhu, Songlin Zhuang   +10 more
wiley   +1 more source

Chirality Transfer to the Magnetic Sublattice in the Hybrid Perovskite (R)-/(S)-3-Fluoropyrrolidinium Copper(II) Chloride. [PDF]

J Am Chem Soc
Zhang Z, Xu M, Gonzalez Jimenez JL, Zhang S, Xie W, Xu X, Straus DB.   +6 more
europepmc   +1 more source

Programmable Guest‐Induced 5‐Phase‐Transition Topological Reconstructions of Cobalt Formate Metal–Organic Frameworks

Advanced Science, EarlyView.
A reversible five‐phase topological cycle is achieved in a minimalist cobalt formate metal–organic framework. The amorphous phase functions as a programmable reactive hub, selectively reconstructing into four distinct crystalline architectures through cationic templates, humidity, or CO2.
Zhiyu Tao, Jingjian Li, Jing Ling, Tianxiang Chen, Wing‐Yiu Yu, Cong Lin, Tsz Woon Benedict Lo   +6 more
wiley   +1 more source

Electric-Field Catalysis of Diels-Alder Reactions. [PDF]

ACS Cent Sci
Shao BR, Guo SY, Paraja M, Zhang QX, Jozeliu̅naitė A, Sakai N, Matile S.   +6 more
europepmc   +1 more source