Results 271 to 280 of about 1,137,061 (330)

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

open access: yesAdvanced Science, EarlyView.
This study introduces DualPG‐DTA, a framework integrating two pre‐trained models to generate molecular and protein representations. It constructs dual graphs processed by specialized neural networks with dynamic attention for feature fusion, achieving superior benchmark performance.
Yihao Chen   +7 more
wiley   +1 more source

Graphene Oxide Incorporated Nanohybrid Aerogels as New Generation Drug Carrier Platforms. [PDF]

open access: yesGels
Çalışkan Salihi E   +7 more
europepmc   +1 more source

Transient Antiskyrmion‐Mediated Topological Transitions in Isotropic Magnets

open access: yesAdvanced Science, EarlyView.
A transient antiskyrmion‐mediated pathway that drives repeated stripe‐to‐skyrmion transitions is revealed, producing a net increase in topological charge in isotropic Dzyaloshinskii–Moriya interaction films. Experiments and simulations identify the antiskyrmion as a metastable excitation, enabling stochastic bitstream generation for probabilistic ...
Bingqian Dai   +18 more
wiley   +1 more source

Unleashing the Potential of Raman Spectroscopy to Estimate PEDOT:PSS Doping Level and Crystalline Morphology

open access: yesAdvanced Science, EarlyView.
Herein, the correlational changes of each PEDOT Raman peak to morphology and doping level are identified. Two equations are derived to estimate PEDOT π–π spacing and doping level from Raman spectra (from which mobility is also extracted). GIWAXS and XPS results validate the estimation equations.
Tzu‐Yi Thomas Yu   +7 more
wiley   +1 more source

Generalized Probabilistic Approximate Optimization Algorithm. [PDF]

open access: yesNat Commun
Abdelrahman AS   +3 more
europepmc   +1 more source

Eco-Evolutionary Optimality in Soil Organic Matter Models. [PDF]

open access: yesEcol Lett
Schwarz E   +5 more
europepmc   +1 more source

Home - About - Disclaimer - Privacy