Results 201 to 210 of about 167,870,163 (290)

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

Effect of Out-of-Pocket Cost on Medication Initiation, Adherence, and Persistence among Patients with Type 2 Diabetes: The Diabetes Study of Northern California (DISTANCE). [PDF]

Health Serv Res, 2018
Karter AJ, Parker MM, Solomon MD, Lyles CR, Adams AS, Moffet HH, Reed ME.   +6 more
europepmc   +1 more source

AS‐TLC‐Based High‐Throughput Screening Integrated with CuAAC Optimization Strategy Facilitates the Rapid Discovery of YTHDC1 Inhibitor

Advanced Science, EarlyView.
We developed Affinity Selection Thin‐Layer Chromatography (AS‐TLC) as a method for high‐throughput screening (HTS) of compound mixtures. Furthermore, we integrated activity assays with AS‐TLC and identified a YTH domain‐containing protein 1 (YTHDC1) inhibitor. Building on this hit, we applied copper(I)‐catalyzed azide–alkyne cycloaddition (CuAAC) click
Mingchen Wang, Shuiping Fu, Ye Xu, Jia Gao, Jiwei Ren, Xu Yang, Hesong Xu, Ge Sun, Yanjie Li, Yanlin Wang, Lu Jin, Peijuan Chen, Ying Xu, Jianhao Li, Hua Lin, Chujiao Hu, Kaixian Chen, Huan Xiong, Cheng Luo, Shijie Chen   +19 more
wiley   +1 more source

Reducing Ion Transport Friction by Mitigated Diluent‐Solvent Interaction for Sodium–Sulfur Battery

Advanced Science, EarlyView.
A local high‐concentration electrolyte to balance the ionic conductivity and interfacial stability is developed through replacing the high solvating DME with the moderate solvating diethyl ether to mitigate the diluent‐solvent interaction and reduce the local dynamic friction for Na+ transport, while maintaining the anion‐rich solvation clusters and ...
Sihang Xia, Jia Xu, Songling Wu, Shanshan Cao, Zhanju Wang, Xiangyang Gu, Jiang Liang, Kangning Zhao, Weina Xu, Chao Yang   +9 more
wiley   +1 more source

A BSCB‐Penetrating Nanoplatform for Enhanced Luteolin Delivery in PRMT2‐Targeted Epigenetic Therapy of Spinal Cord Injury

Advanced Science, EarlyView.
In this work, MSN‐BO@LUT penetrates the blood‐spinal cord barrier for luteolin delivery in spinal cord injury. The nanodrug suppresses neuroinflammation and promotes functional recovery of the spinal cord. Mechanistically, luteolin targets protein arginine N‐methyltransferase (PRMT2) to decrease toll‐like receptor 4 (TLR4) methylation, thereby ...
Yixuan Wang, Bo Jin, Shipian Li, Qianxi Ouyang, Yu Xiao, Jiaxin Wen, Yehua Lai, Ping Wang, Yongjun Wang, Xuejun Cui, Weian Zhang, Min Yao   +11 more
wiley   +1 more source

Ultrathin 2D In2O3 Nanosheets Confining Cu Single Atoms Synergized With Oxygen Vacancies for High Selectivity of Photocatalytic Reduction of CO2 to CO

Advanced Science, EarlyView.
In this work, we constructed an ultrathin two‐dimensional (2D) In2O3 nanosheet (In2O3‐Ns) structure based on oxygen vacancies (OV)‐rich defects and low crystallinity to anchor Cu single atoms (Cu SAs) and synthesized Cu/In2O3‐Ns photocatalysts. ABSTRACT In this work, we constructed an ultrathin two‐dimensional (2D) In2O3 nanosheet (In2O3‐Ns) structure ...
Yueying Yang, Xuan Xiang, Jiali Ren, Ying Bian, Xinyu Wang, Xiaoyang Lu, Yanjun Xue, Porun Liu, Cheng‐Hao Chuang, Xiaoli Zhang, Jian Tian   +10 more
wiley   +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

Chelation‐Driven Dual‐Interface Regulation for Long‐Life Aqueous Zn–I2 Batteries

Advanced Science, EarlyView.
Zn2+–TPEN coordination generates TPEN‐derived coordination species (TCC) that contribute to the regulation of both electrode interfaces. At the Zn anode, it creates an interfacial environment with reduced water accessibility that suppresses HER and corrosion while promoting uniform deposition; at the I2 cathode, it captures polyiodide to inhibit ...
Dong Wook Kim, Seung Hwa Park, Tae Rim Kim, Gun Jang, Jun Su Kim, Myung‐Jun Kwak, Seokhwan Jin, Seongbin Ga, Chihyun Hwang, Ho Seok Park, Youngkwon Kim   +10 more
wiley   +1 more source

Colorectal cancer screening use among insured adults: Is out-of-pocket cost a barrier to routine screening?

World J Gastrointest Pharmacol Ther, 2018
Perisetti A, Khan H, George NE, Yendala R, Rafiq A, Blakely S, Rasmussen D, Villalpando N, Goyal H.   +8 more
europepmc   +1 more source

Weakly Coordinated Solvent Network‐Induced Ternary Water‐Deficient Eutectic Electrolytes for Low‐Polarization Zn Anodes

Advanced Science, EarlyView.
A water‐deficient ternary eutectic electrolyte employs weakly coordinating solvents to decouple strong solvation interactions, constructing a loose and dynamic solvation network. This optimized solvation structure accelerates Zn2+ transport and interfacial kinetics, promotes robust SEI formation, and ultimately enables highly stable and reversible Zn ...
Quancai Li, Jing Liang, Jiayu Wang, Qian Wang, Hehe Ren, Ziyi Gong, Vellaisamy A. L. Roy, Wei Wu   +7 more
wiley   +1 more source