Results 171 to 180 of about 4,932,082 (261)

3DProtDTA: a deep learning model for drug-target affinity prediction based on residue-level protein graphs. [PDF]

RSC Adv, 2023
Voitsitskyi T, Stratiichuk R, Koleiev I, Popryho L, Ostrovsky Z, Henitsoi P, Khropachov I, Vozniak V, Zhytar R, Nechepurenko D, Yesylevskyy S, Nafiiev A, Starosyla S.   +12 more
europepmc   +1 more source

Sustainable and Multifunctional Natural Macromolecular Polymers for Aqueous Zn Metal Batteries

Advanced Materials, EarlyView.
We comprehensively review the structure‐function relationships and regulatory mechanism of natural macromolecular polymers in stabilizing zinc anodes at the microscopic and mesoscopic scales. The interactions among polymer structures, optimization strategies, and regulatory mechanisms are discussed systematically summarizing recent related research ...
Yunuo Shi, Bo Jiang, Jingcheng Zhang, Xiaodong Shao, Peixun Xiong, Lutong Shan, Shengyang Huang, Mengfang Liang, Mengyao Chang, Fangyan Liu, Wenwu Li, Baoyu Xia, Wei Ji, Ho Seok Park   +13 more
wiley   +1 more source

Electrolyte Design for Fast‐Charging Lithium‐Based Batteries

Advanced Materials, EarlyView.
A decade of progress in fast‐charging electrolytes for lithium batteries is reviewed. Electrolyte design strategies spanning solvents, salts, additives, and advanced systems, such as localized high‐concentration electrolytes (LHCEs), are summarized. Advanced diagnostic tools for lithium plating and interphase chemistry are discussed, with perspectives ...
Chen Liu, Zehao Cui, Arumugam Manthiram
wiley   +1 more source

CS-DTA: a language model-driven framework for robust drug-target affinity prediction under strict cold-start scenarios. [PDF]

Front Chem
Jiang Z, Dai H, Chen Y, Qiao B, Sun S.
europepmc   +1 more source

Polyphenol‐Inspired Materials for Agricultural Applications

Advanced Materials, EarlyView.
This review outlines the use of polyphenol‐inspired materials for sustainable agriculture, highlighting their molecular design, interfacial assembly, structure–property relationships, and prospects toward precision agriculture, climate resilience, ecosystem protection, and circular bioeconomy strategies.
Haofu Liu, Omid Mazaheri, Zhixing Lin, Tianzheng Wang, Jingqu Chen, Yuang Gu, Xia Liang, Deli Chen, Frank Caruso   +8 more
wiley   +1 more source

CASTER-DTA: equivariant graph neural networks for predicting drug-target affinity. [PDF]

Brief Bioinform
Kumar R, Romano JD, Ritchie MD.
europepmc   +1 more source

Elastomeric 3D‐Printed Microenvironments Enable Nanonewton Force Measurements in Healthy and Diseased Human Pluripotent Stem Cell‐Derived Neuroepithelial Cells

Advanced Materials, EarlyView.
We present elastomeric three‐dimensional (3D) microstructures fabricated via two‐photon polymerization (2PP) and post‐processed through wet etching, for quantifying nanonewton (nN)‐scale forces applied by healthy and diseased neural cells. The mechanically characterized free‐standing beam architectures enable measurement of traction forces of ...
Pieter F. J. van Altena, Lucia Castillo Ransanz, Ruben H. Guis, Giulia Bergamaschi, Nanne J. Paauw, Urs Staufer, Vivi M. Heine, Angelo Accardo   +7 more
wiley   +1 more source

Side‐Chain‐Induced Interlayer Slipping in Metalloporphyrin COFs Enables Microenvironment and Spin‐State Regulation for Photocatalytic CO2 Reduction

Advanced Materials, EarlyView.
Alkoxy chain length drives a continuous transition from eclipsed AA to a serrated, slipped AA* configuration over Co‐porphyrin COFs. A moderate slip both contracts the pore channel to enrich CO2 and suppress hydrogen evolution, and enhances collective high‐spin of Co sites, which delivers a record CO production rate with high selectivity.
Jie He, Qingxuan Chen, Minxian Zhang, Wenhao Zhao, Aoni Xu, Jinqiang Zhang, Hongqi Sun, Shaobin Wang, Xiaoguang Duan   +8 more
wiley   +1 more source

MixingDTA: improved drug-target affinity prediction by extending mixup with guilt-by-association. [PDF]

Bioinformatics
Kim Y, Bang D, Koo B, Yi J, Cho C, Choi J, Kim S.   +6 more
europepmc   +1 more source

Topological Adaptive Weighted Drug-target Affinity Prediction

Electronic Imaging
Linman Du, Wenzong Jiang, Bin Shen, Weifeng Liu, Baodi Liu   +4 more
openaire   +1 more source