Results 151 to 160 of about 342,422 (269)
Hybrid neural network approaches to predict drug-target binding affinity for drug repurposing: screening for potential leads for Alzheimer's disease. [PDF]
Front Mol Biosci, 2023 Wu X, Li Z, Chen G, Yin Y, Chen CY.
europepmc +1 more source
Advanced Materials, EarlyView.2D α‐Co(OH)2 interleaved with Mo species displays an appealing dual functionality for the production and use of green hydrogen.Mo incorporation greatly benefits the electrochemical behaviour in Oxygen Evolution Reaction for H2 production, while the magnetocaloric response at liquid H2 temperature paves the way for alternative cryogenic refrigerants ...
Daniel Muñoz‐Gil +14 more
wiley +1 more source
Machine learning in drug discovery: advancing protein-ligand binding affinity predictions
Binding affinity quantifies the strength of the interaction between a protein and a small drug-like molecule. Accurately determining binding affinity helps identify promising drug candidates in the early stage of drug discovery, particularly in hit ...
Gorantla, Rohan
core +1 more source
Electrically Readable Lateral Flow Assay Using Organic Transistors for Diagnostic Applications
Advanced Materials, EarlyView.Electrolyte‐gated organic field‐effect transistors (EGOFETs) are integrated with lateral flow (LF) paper fluidics to create a reusable, portable, and low‐cost point‐of‐care (PoC) diagnostic test. The devices are validated for Human Immunoglobulin G detection, achieving high sensitivity (0.1 fm), selectivity, and reproducibility with rapid results in 20–
María Jesús Ortiz‐Aguayo +4 more
wiley +1 more source
MSGNN-DTA: Multi-Scale Topological Feature Fusion Based on Graph Neural Networks for Drug-Target Binding Affinity Prediction. [PDF]
Int J Mol Sci, 2023 Wang S +6 more
europepmc +1 more source
In pharmaceutical R & D, drug stereochemistry, and consequently the rotation of enantiomers, is very important. Because they act as chiral selectors in vivo, biomacromolecules have been extensively used as chiral selectors for the liquid chromatographic (
Salmon, Andrew B
core
Advanced Materials, EarlyView.The new Cu‐containing MOF (Me2NH2)(CuICl2)@[Cu4(INA)4Cl2O]·1.5dmf (3) contains a cation and an anion as guests and shows UV‐near‐mid‐IR absorption and near‐IR emission. MOF 3 shows gas‐solid reactivity in the presence of NH3 and HCOOH to yield two new 3D MOF.
Rajat Saha +10 more
wiley +1 more source
Prediction Of Binding Affinity And Molecular Interactions Of Her2 Receptor With Drug Targets
, 2017 This goal of this work is to predict the binding affinity and identify the molecular interactions of HER2 receptor with potential drug targets. Docking is performed to predict the binding affinity based on the molecular interactions of drug targets benzene propanoic acid and 1-phenathrenemethanol with the HER2 target receptor.
openaire +1 more source
Polymorph‐Specific Electronic Transduction in WO3 during Molecular Sensing
Advanced Materials, EarlyView.Metal‐oxide polymorphs with similar surface chemistry can nevertheless exhibit distinct sensing properties. In γ‐ and ε‐WO3, analyte adsorption appears comparable; yet, only ε‐WO3 induces a pronounced lattice electronic perturbation that accommodates charge in sub‐conduction band minimum states.
Matteo D'Andria +6 more
wiley +1 more source
MTAF–DTA: multi-type attention fusion network for drug–target affinity prediction
BMC BioinformaticsBackground The development of drug–target binding affinity (DTA) prediction tasks significantly drives the drug discovery process forward. Leveraging the rapid advancement of artificial intelligence, DTA prediction tasks have undergone a transformative ...
Jinghong Sun +4 more
doaj +1 more source