Results 131 to 140 of about 6,076,909 (260)

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

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

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

CASTER-DTA: equivariant graph neural networks for predicting drug–target affinity

Briefings in Bioinformatics
Abstract Accurately determining the binding affinity of a ligand with a protein is important for drug design, development, and screening. With the advent of accessible protein structure prediction methods such as AlphaFold, predicted protein 3D structures are readily available; however, scalable methods for predicting binding affinity
Rachit Kumar, Joseph D. Romano, Marylyn D. Ritchie   +2 more
openaire   +4 more sources

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

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

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

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

Nature‐Derived Chitosan Biopolymer: A Promising Candidate for Sustainable Electronics

Advanced Materials Technologies, EarlyView.
In the creation of environmentally friendly devices, nature‐derived chitosan biopolymer is a promising contender for sustainable electronic research. It can be utilized to create more ecologically friendly scalable gadgets and has a variety of uses in different active layers of electronics.
Joshua McDonald, Ali Nawaz, Amandeep Singh, Prashant Sonar   +3 more
wiley   +1 more source

Optimization of drug-target affinity prediction methods through feature processing schemes. [PDF]

Bioinformatics, 2023
Ru X, Zou Q, Lin C.
europepmc   +1 more source