Results 181 to 190 of about 4,932,082 (261)

UAMRL: multi-granularity uncertainty-aware multimodal representation learning for drug-target affinity prediction. [PDF]

Bioinformatics
Xu W, Liu X, Wang J, Zhang F, Hu D, Zong L.   +5 more
europepmc   +1 more source

Advanced Materials for Biologics Delivery to Brain Tumors

Advanced Materials, EarlyView.
Material innovation is central to unlocking the therapeutic potential of biologics against many central nervous system diseases, including brain cancer. By engineering carriers with controlled transport, targeting, and release properties, advanced materials can overcome the blood–brain barrier and tumor microenvironment, improving the delivery of ...
Yuran Feng, Yuxue Cao, Maria Kavallaris, Taskeen Janjua, Amirali Popat   +4 more
wiley   +1 more source

Decoding Synergistic Pathways in Bimetallic MOFs for Advanced Oxidation Processes

Advanced Materials, EarlyView.
This review presents a unified framework linking metal pairing and framework design with electronic structure, redox cycling, oxidant activation, reactive‐species generation, and catalytic performance across photocatalytic and oxidant‐based BMOF‐AOPs. The resulting design principles guide the development of hydrolytically stable and efficient BMOFs for
Karim El‐Naggar, Huayang Zhang, Shaobin Wang   +2 more
wiley   +1 more source

MDNN-DTA: a multimodal deep neural network for drug-target affinity prediction. [PDF]

Front Genet
Gao X, Yan M, Zhang C, Wu G, Shang J, Zhang C, Yang K.   +6 more
europepmc   +1 more source

Descriptors to Dynamics: A Materials and Device Perspective on in‐Materio Physical Reservoir Computing for Neuromorphic Edge Intelligence

Advanced Materials, EarlyView.
Intrinsic material dynamics are harnessed as computational resources for neuromorphic in‐materio physical reservoir computing. Defects, ionic motion, interfaces, percolation, geometry, and biasing shape transient states that provide fading memory, nonlinearity, and high‐dimensional projection for simple readout. A descriptor‐to‐dynamics framework links
Kshitij RB Singh, Alif Syafiq Kamarol Zaman, Muzhen Xu, Yuki Usami, Saptarshi Das, Hirofumi Tanaka   +5 more
wiley   +1 more source

DeepDTAGen: a multitask deep learning framework for drug-target affinity prediction and target-aware drugs generation. [PDF]

Nat Commun
Shah PM, Zhu H, Lu Z, Wang K, Tang J, Li M.   +5 more
europepmc   +1 more source

Programmable Carrier‐Free All‐Enzyme Beads for Modular Continuous‐Flow Biocatalysis

Advanced Materials, EarlyView.
Genetically encoded enzyme building blocks self‐assemble into monodisperse, carrier‐free protein beads via a droplet‐based formulation strategy. These programmable catalytic particles enable modular continuous‐flow biocatalysis, from single‐enzyme reactions to multi‐enzyme cascades and bead–bead coupled reactor systems.
Jennifer Kühne, Julian S. Hertel, André Delavault, Judith Felk, Martin Peng, Lara Reuber, Felix Ott, Kim Wanner, Marc F. Münker, Adrian Neukirch, Alexei Kiselev, Kersten S. Rabe, Christof M. Niemeyer   +12 more
wiley   +1 more source

DualPG-DTA: A Large Language Model-Powered Graph Neural Network Framework for Enhanced Drug-Target Affinity Prediction and Discovery of Novel CDK9 Inhibitors Exhibiting In Vivo Anti-Leukemia Activity. [PDF]

Adv Sci (Weinh)
Chen Y, Huang J, Liu C, Zhang S, Li X, Zhang Z, Chen TG, Wang L.   +7 more
europepmc   +1 more source

Drug-target affinity prediction using graph neural network and contact maps. [PDF]

RSC Adv, 2020
Jiang M, Li Z, Zhang S, Wang S, Wang X, Yuan Q, Wei Z.   +6 more
europepmc   +1 more source

Advanced MXene‐Based Multifunctional Nanoarchitecture Materials Engineered for Adsorptive Cleanup of Hazardous Radioactive Pollutants: A Comprehensive Critical Review

Advanced Materials Interfaces, EarlyView.
This work critically reviews MXenes as highly effective multifunctional nanomaterials for the adsorption of radio‐contaminants, demonstrating a remarkable adsorption capacity of up to 1376.75 mg/g and cyclic stability of 2–8 cycles, with complexation, electrostatic interactions, and the numerical strength of MXene active sites playing a key operational
Stephen Sunday Emmanuel, Shepherd M. Tichapondwa   +1 more
wiley   +1 more source