Results 171 to 180 of about 56,903 (265)

Lipid‐Facilitated Opening of the ADAM10 Sheddase Revealed by Enhanced Sampling Simulations

open access: yesAdvanced Science, EarlyView.
Phosphatidylserine acts as a lipid trigger to enhance activation of the sheddase ADAM10. By integrating fluorescence spectroscopy assays with enhanced sampling molecular dynamics simulations, this study shows that phosphatidylserine promotes ADAM10 catalytic activity along with expansion of its extracellular domains, enhancing accessibility to scaffold
Adrien Schahl   +7 more
wiley   +1 more source

Machine Learning Discovery of Record‐Low Lattice Thermal Conductivity in Double Perovskites

open access: yesAdvanced Science, EarlyView.
 A deep learning interatomic potential is introduced to predict forces for computing phonon properties and thermal transport behavior in double perovskites. Screening 9,709 compounds identifies 1,597 stable materials, and Boltzmann transport calculations including both three and four‐phonon scattering suggests a record‐low lattice thermal conductivity ...
Md Zaibul Anam   +3 more
wiley   +1 more source

De Novo Multi‐Mechanism Antimicrobial Peptide Design via Multimodal Deep Learning

open access: yesAdvanced Science, EarlyView.
Current AI‐driven peptide discovery often overlooks complex structural data. This study presents M3‐CAD, a generative pipeline that leverages 3D voxel coloring and a massive database of over 12 000 peptides to capture nuanced physicochemical contexts.
Xiaojuan Li   +23 more
wiley   +1 more source

High‐Fidelity Synthetic Data Replicates Clinical Prediction Performance in a Million‐Patient Diabetes Cohort

open access: yesAdvanced Science, EarlyView.
This study generates high‐fidelity synthetic longitudinal records for a million‐patient diabetes cohort, successfully replicating clinical predictive performance. However, deeper analysis reveals algorithmic biases and trajectory inconsistencies that escape standard quality metrics. These findings challenge current validation norms, demonstrating why a
Francisco Ortuño   +5 more
wiley   +1 more source

In Situ X‐Ray Tomography and Acoustic Emission Monitoring of Damage Evolution in C/C‐SiC Composites Fabricated by Liquid Silicon Infiltration

open access: yesAdvanced Science, EarlyView.
This study investigates how the internal structure of fiber‐reinforced ceramic composites affects their resistance to damage. By combining 3D X‐ray imaging with acoustic emission monitoring during mechanical testing, it reveals how silicon distribution influences crack formation.
Yang Chen   +7 more
wiley   +1 more source

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