Results 201 to 210 of about 47,436 (306)

ProSiteHunter: A Unified Framework for Sequence‐Based Prediction of Protein‐Nucleic Acid and Protein‐Protein Binding Sites

open access: yesAdvanced Science, EarlyView.
This study proposed a unified sequence‐based framework for protein binding site prediction, which adopted a tri‐track semantic multi‐source feature fusion strategy to effectively capture diverse macromolecular interaction sites and further improved the accuracy of antibody‐antigen interaction prediction.
Dongliang Hou   +8 more
wiley   +1 more source

AI‐Physics‐Experiment Trinity for Integrated Protein Dynamics Modeling

open access: yesAdvanced Science, EarlyView.
This review unites experiments, physics‐based simulations, and AI as a synergistic triad for protein dynamics modeling. It highlights integrative strategies, resolves sampling and forcefield bottlenecks, and outlines challenges and future directions for accurate, interpretable conformational ensemble prediction.
Chen Shi   +4 more
wiley   +1 more source

Biodegradable Zn‐Based Implants: Progress, Challenges, and Pathways toward Clinical Translation

open access: yesAdvanced Science, EarlyView.
Exploring biodegradable Zn‐based implants offers a promising pathway to next‐generation biomedical devices with balanced degradation and biocompatibility. A comprehensive overview of biodegradable Zn‐based implants, covering their biological significance, material design principles, and advanced engineering strategies is provided.
Panfeng Zhao   +10 more
wiley   +1 more source

A Phase‐Resolved Geometric Deep Learning Framework Maps Structural Determinants of Disease‐Associated Protein Aggregation and Guides Suppressor Design

open access: yesAdvanced Science, EarlyView.
SKALE 2.0 maps disease‐associated protein aggregation as a phase‐resolved structural process, linking mutation‐induced geometric perturbations to nucleation, elongation, and suppressor design. Across neurodegenerative proteins, the framework reveals cryptic aggregation vulnerabilities, separates phase‐concordant and phase‐switching mutations, and ...
Jia Shen Sio   +6 more
wiley   +1 more source

CauFinder: Steering Cell‐State and Phenotype Transitions by Causal Disentanglement Learning

open access: yesAdvanced Science, EarlyView.
CauFinder combines causal disentanglement modeling and network control to prioritize causal drivers of cell‐state transitions from observational transcriptomic data. The framework separates transition‐relevant signals from spurious associations, nominates intervention targets across biological and disease contexts, and identifies DAAM1 as an actionable
Chengming Zhang   +11 more
wiley   +1 more source

Polarization Dynamics in Ferroelectrics: Insights Enabled by Machine Learning Molecular Dynamics

open access: yesAdvanced Science, EarlyView.
Machine learning molecular dynamics is presented as a route to capture polarization switching, domain wall kinetics, topological polar textures, and polar mechanical coupling beyond the limits of conventional atomistic methods. This Perspective surveys recent progress and identifies key methodological directions, including long‐range electrostatics ...
Dongyu Bai   +3 more
wiley   +1 more source

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