Results 121 to 130 of about 141,734 (283)

A dual-branch graph neural network architecture for drug-target binding affinity prediction

Scientific Reports
Graph Neural Networks have emerged as a powerful paradigm for artificial intelligence driven drug discovery, offering molecular representation learning that surpasses many conventional approaches.
Khushnood Abbas, Chen Hao, Shi Dong, Wengang Zhou, Yong Tang, Shayla Islam, Mohammad Kamrul Hasan, Siti Norul Huda Sheikh Abdullah, Ruizhe Hou   +8 more
doaj   +1 more source

Femtosecond‐Laser Mould Texturing Enables Tunable Biointerfaces in COC Microfluidics

Advanced Materials Interfaces, EarlyView.
Femtosecond‐laser texturing of injection‐mould inserts enables scalable engineering of biointerfaces in cyclic olefin copolymer microfluidics. Replicated micro‐ and nano‐topographies modulate surface roughness and wettability, leading to texture‐dependent protein adsorption and cell adhesion without chemical post‐processing.
Irene Varela‐Leniz, Nora Larreategi, Laura Gemini, Taieb Bakouche, Florent Husson, Leire Gartzia‐Rivero, Eider Bilbao Castellanos, Ane Miren Zaldua, José Luis Vilas‐Vilela, Leire Etxeberria   +9 more
wiley   +1 more source

Next‐Generation Water Treatment With Molybdenum Disulfide: Dual‐Functionality in Pollutant Adsorption and Photocatalysis

Advanced Materials Technologies, EarlyView.
ABSTRACT Molybdenum disulfide (MoS2) has attracted attention as a promising material due to the growing demand for environmentally friendly, cost‐effective, and efficient water treatment techniques. With its physicochemical characteristics, this stratified bidimensional material allows it to be highly effective in adsorption and catalytic performance ...
Pariksha Bishnoi, Gunjan Chauhan, Phil Hart, Samarjeet Singh Siwal, Vijay Kumar Thakur   +4 more
wiley   +1 more source

Binding Affinity Prediction with 3D Machine Learning: Training Data and Challenging External Testing

Protein-ligand binding affinity prediction is one of the major challenges in computational assisted drug discovery. An active area of research uses machine learning (ML) models trained on 3D structures of protein ligand complexes to predict binding modes,
Gary , Tresadern, Lili, Cao, Jose Carlos, Gómez-Tamayo, Mazen, Ahmad   +3 more
core   +1 more source

Multimodal Actuation and Environment Adaptive Strategies of Bio‐Inspired Micro/Nanorobots in Precision Medicine

Advanced Robotics Research, EarlyView.
An introduction for multidrive and environment‐adaptive micro/nanorobotics: design and fabrication strategies, intelligent actuation, and their applications. Various intelligent actuation approaches—magnetic, acoustic, optical, chemical, and biological—can be synergistically designed to enhance flexibility and adaptive behavior for precision medicine ...
Aiqing Ma, Han Gong, Jiacheng Ouyang, Liqi Chen, Tianfang Kang, Yiran He, Guojun Huang, Sidi Zheng, Ting Yin, Hong Pan, Lintao Cai   +10 more
wiley   +1 more source

3D Printing of Soft Robotic Systems: Advances in Fabrication Strategies and Future Trends

Advanced Robotics Research, EarlyView.
Collectively, this review systematically examines 3D‐printed soft robotics, encompassing material selections, function integration, and manufacturing methodologies. Meanwhile, fabrication strategies are analyzed in order of increasing complexity, highlighting persistent challenges with proposed solutions.
Changjiang Liu, Bin Cui, Xumin Huang, Xiaoyu (Rayne) Zheng, T. Thang Vo‐Doan, Ruirui Qiao   +5 more
wiley   +1 more source

Binding Affinity Prediction for Pancreatic Ductal Adenocarcinoma Using Drug-Target Descriptors and Artificial Intelligence

IEEE Access
Pancreatic ductal adenocarcinoma (PDAC) is the most common and aggressive form of pancreatic cancer, accounting for 90% of all pancreatic malignancies.
Pragya, A. Amalin Prince, Jac Fredo Agastinose Ronickom   +2 more
doaj   +1 more source

MDF-DTA: A Multi-Dimensional Fusion Approach for Drug-Target Binding Affinity Prediction

Drug-target affinity (DTA) prediction is an important task in the early stages of drug discovery. Traditional biological approaches are time-consuming, effort-consuming, and resource-consuming due to the large size of genomic and chemical spaces ...
Alvin, Chris, Ranjan, Amit, Mukhopadhyay, Supratik, Bess, Adam   +3 more
core   +1 more source

Malectin Alleviates Endoplasmic Reticulum Stress in Gestational Diabetes Mellitus via Glycoprotein Quality Control Mechanisms

Advanced Science, EarlyView.
Malectin alleviates high glucose‐induced ER stress and damage in placental trophoblasts, a function dependent on its six critical carbohydrate‐binding residues. In a GDM mouse model, administration of TAT‐Malectin ameliorated hyperglycemia and placental ER stress and prevented fetal macrosomia.
Jiahui Zhu, Yumeng Zhang, Ye Wang, Xiaoyu Zhu, Ailin Yuan, Weijing Yin, Huangmin Yu, Xuemin Pang, Yufeng He, Yuchen Wang, Tong Wang, Yong Li, Yunlong Si   +12 more
wiley   +1 more source

A comparison of embedding aggregation strategies in drug–target interaction prediction

BMC Bioinformatics
The prediction of interactions between novel drugs and biological targets is a vital step in the early stage of the drug discovery pipeline. Many deep learning approaches have been proposed over the last decade, with a substantial fraction of them ...
Dimitrios Iliadis, Bernard De Baets, Tapio Pahikkala, Willem Waegeman   +3 more
doaj   +1 more source