Results 141 to 150 of about 3,122 (255)

De Novo Design of Membrane‐Targeting Antimicrobial Peptides Against Gram‐Negative Bacteria Using a Generative Artificial Intelligence Framework

open access: yesAdvanced Science, EarlyView.
Antimicrobial resistance caused by Gram‐negative bacteria remains difficult to overcome due to the protective outer membrane. To address this challenge, a multi‐condition constrained generative AI framework, GenMTAMP is proposed for de novo membrane‐targeting antimicrobial peptide design by integrating physicochemical and spatial structure descriptors.
Jingxiao Yu   +5 more
wiley   +1 more source

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

Toward Nano‐Nutritional Medicine: A Remotely Activated Trans‐Vaccenic Acid‐Based Lipid Nanoparticles for Enhancing Immune Checkpoint Blockade Therapy

open access: yesAdvanced Science, EarlyView.
Eutectic mixtures from trans‐vaccenic acid (TVA) and stearic acid, which served as phase‐change material to encapsulate IR780, forming NIR‐responsive nanoparticles. IR780@TVA LNPs induce photothermal therapy and initiate adaptive anti‐tumor immunity.
Kang Liu   +12 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

A Pore or not a Pore? Understanding Pore Size Distributions of Non‐Graphitic Carbon and Atomically‐Dispersed M‐N‐C Materials

open access: yesAdvanced Science, EarlyView.
Gassorption analysis of in‐plane functionalized carbons reveals small, uniform ultramicropore signatures as potential artefacts of specific adsorption of the probe gases. Low‐pressure Langmuir fitting links these features to distinct functionalities via adsorption energies, enabling straightforward quantification of otherwise inaccessible surface‐site ...
Simon W. J. Dietzmann   +9 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

T2T Genome Assembly and Multi‐Omics Data Reveal Terrestrial Adaptation and Mucus Biosynthesis in Tropical Leatherleaf Slug (Laevicaulis alte)

open access: yesAdvanced Science, EarlyView.
A gap‐free genome assembly and multi‐omics comparison of the terrestrial slug Laevichaulis alte with an aquatic relative reveal that expansion of the VEGF family orchestrates mucus production, lipid metabolism, and immune defense—highlighting key molecular innovations for conquering life on land.
Gang Wang   +19 more
wiley   +1 more source

Dual‐Mode Nanoporous SiO2 Memristors with Coexisting Volatile and Nonvolatile Dynamics for Reservoir Computing

open access: yesAdvanced Science, EarlyView.
A nanoporous SiO2 memristor enabling reconfigurable volatile and non‐volatile switching within a single device is demonstrated. The dual‐mode functionality supports both physical reservoir dynamics and synaptic weight storage, allowing unified hardware implementation of reservoir computing for temporal information processing, including image and ...
Bohao Ding   +5 more
wiley   +1 more source

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