Results 111 to 120 of about 159,394 (268)

MM-DRPNet: A multimodal dynamic radial partitioning network for enhanced protein–ligand binding affinity prediction

Computational and Structural Biotechnology Journal
Accurate prediction of drug-target binding affinity remains a fundamental challenge in contemporary drug discovery. Despite significant advances in computational methods for protein-ligand binding affinity prediction, current approaches still face ...
Dayan Liu, Tao Song, Shudong Wang
doaj   +1 more source

Bio‐Inspired Molecular Events in Poly(Ionic Liquids)

Advanced Functional Materials, EarlyView.
Originating from dipolar and polar inter‐ and intra‐chain interactions of the building blocks, the topologies and morphologies of poly(ionic liquids) (PIL) govern their nano‐ and micro‐processibility. Modulating the interactions of cation‐anion pairs with aliphatic dipolar components enables the tunability of properties, facilitated by “bottom‐up ...
Jiahui Liu, Marek W. Urban
wiley   +1 more source

MFAE: Multilevel Feature Aggregation Enhanced Drug‐Target Affinity Prediction for Drug Repurposing Against Colorectal Cancer

Advanced Intelligent Systems
Colorectal cancer (CRC), a leading cause of cancer‐related deaths globally, demands innovative therapeutic strategies to improve patient outcomes. Drug repurposing, identifying new uses for existing drugs, provides a cost‐effective solution. To this end,
Guanxing Chen, Haohuai He, Calvin Yu-Chian Chen   +2 more
doaj   +1 more source

Mechanoregulatory Effects of Cell‐Scale Microwells on Epithelial Cell Phenotype

Advanced Functional Materials, EarlyView.
In small polycaprolactone microwells, A549 epithelial cells span well edges, in contrast to cells growing on flat substrates. Focal adhesion sites (yellow) concentrate at topographic boundaries, while cytoskeletal tension (magenta stress fibers) is transmitted to the nucleus (blue), reducing nuclear sphericity.
Ruiwen He, Wang Sik Lee, Phattadon Yajan, Aaron Lee, Mauro Sousa de Almeida, Sandeep Keshavan, Jozef Adamcik, Céline Loussert‐Fonta, Dimitri Vanhecke, Barbara Rothen‐Rutishauser, Alke Petri‐Fink   +10 more
wiley   +1 more source

Frontier Advances of Emerging High‐Entropy Anodes in Alkali Metal‐Ion Batteries

Advanced Functional Materials, EarlyView.
Recent advances in microscopic morphology control of high‐entropy anode materials for alkali metal‐ion batteries. Abstract With the growing demand for sustainable energy, portable energy storage systems have become increasingly critical. Among them, the development of rechargeable batteries is primarily driven by breakthroughs in electrode materials ...
Liang Du, Kaidi Zhang, Liang Wang, Di Zhao, Mengqing Hu, Mingli Li, Ming Zhou, Zhenzhen Wu, Mengyang Dong, Bo Fu, Porun Liu, Yun Wang, Hongxia Wang, Yuantong Gu, Lei Zhang   +14 more
wiley   +1 more source

In Situ 3D Bioprinting: Impact of Cross‐Linking on the Adhesive Properties of Hydrogels

Advanced Functional Materials, EarlyView.
In situ 3D bioprinting enables the direct deposition of cell‐laden, adhesive biomaterials for on‐site tissue regeneration. This review provides a comprehensive overview of how cross‐linking influences the bioadhesive properties of hydrogels used in 3D bioprinting, highlighting cross‐linking triggers, bioadhesion mechanisms, polymer interpenetration ...
Odile Romero Fernandez, Mulazim Hussain Asim, Shumaila Arshad, Gergely Kali, Andreas Bernkop‐Schnürch   +4 more
wiley   +1 more source

InceptionDTA: Predicting drug-target binding affinity with biological context features and inception networks

Heliyon
Predicting drug-target binding affinity via in silico methods is crucial in drug discovery. Traditional machine learning relies on manually engineered features from limited data, leading to suboptimal performance.
Mahmood Kalemati, Mojtaba Zamani Emani, Somayyeh Koohi   +2 more
doaj   +1 more source

Microfluidic Platform for Multiparametric Profiling of Fibrin Permeability, Fibrinolysis, and Cell Invasion

Advanced Functional Materials, EarlyView.
This paper introduces a single‐channel H‐junction microfluidic assay that profiles fibrin's evolving function in repair and thrombosis by measuring, in one ∼3 µL gel, permeability, fibrinolysis kinetics, fibroblast invasion, and clot extension in real time.
Halston Deal, Elizabeth M. Byrnes, Sanika Pandit, Halle J. Cantor, Muskan Aslam, Stacy Ban, Megan Palmisano, Rosemary Bayless, Ashley C. Brown, Michael Daniele   +9 more
wiley   +1 more source

Metal–Organic Frameworks for Gaseous Pollutant Management: From Capture to Neutralization and Reutilization

Advanced Functional Materials, EarlyView.
This review maps how MOFs can manage hazardous gases by combining adsorption, neutralization, and reutilization, enabling sustainable air‐pollution control. Covering chemical warfare agent simulants, SO2, NOx, NH3, H2S, and volatile organic compounds, it highlights structure‐guided strategies that boost selectivity, water tolerance, and cycling ...
Yuanmeng Tian, Zeyu Tao, Kaikai Ma, Xiaoliang Wang, Bo Yu, Yiu Wan Yip, Zhijie Chen, Jin Shang, Bin Fei   +8 more
wiley   +1 more source

Adaptive Hydrogels With Spatiotemporal Stiffening Using pH‐Modulating Enzymes

Advanced Functional Materials, EarlyView.
The chemomechanical coupling in an adaptive hydrogel is studied to further the development of adaptive hydrogels. This coupling is achieved by embedding a pH‐modulating enzyme in a pH‐responsive hydrogel. The enzymatic reaction can be triggered locally, which generates a pH‐decreasing wave throughout the system, increasing the crosslinking density and ...
Natascha Gray, Zoe Grämiger, André R. Studart, Rafael Libanori   +3 more
wiley   +1 more source