Results 141 to 150 of about 342,372 (241)
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
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
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
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
Energetic Offset in Organic Solar Cells‐ Importance, Confusion and Outlook
Advanced Materials, EarlyView.Energetic offsets in organic solar cells (OSCs) remain a subject of debate due to measurement‐ and lab‐dependent discrepancies. This Perspective clarifies the physical origins of these variations and identifies temperature‐dependent electro‐optical methods as a reliable approach to obtain consistent offset values.
Nakul Jain +5 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
Deep drug-target binding affinity prediction with multiple attention blocks. [PDF]
Brief Bioinform, 2021 Zeng Y, Chen X, Luo Y, Li X, Peng D.
europepmc +1 more source
Advanced Materials, EarlyView.The field of polymer thermoelectrics is entering a new era, featuring breakthroughs in addressing the conventional performance disparity between p‐type and n‐type polymers, pioneering doping frontiers, and sophisticated decoupling strategies. This review explores innovations in molecular design and superior stabilities, bridging the gap from ...
Suhao Wang
wiley +1 more source
GeneralizedDTA: combining pre-training and multi-task learning to predict drug-target binding affinity for unknown drug discovery. [PDF]
BMC Bioinformatics, 2022 Lin S, Shi C, Chen J.
europepmc +1 more source
Advanced Materials, EarlyView.Controlling the protein corona formation onto carbon nanomaterials (CNMs) enhances their functionalities as platforms for cancer theranostics. Here, we reviewed the effects of the intrinsic and acquired properties of CNMs on protein corona formation, the consequent biological and toxicological outcomes, and the strategies to reshape corona formation ...
Yajuan Zou +5 more
wiley +1 more source