Results 251 to 260 of about 48,589 (309)

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

Lessons From Drug Discovery for Cryoprotective Agent Design: An AI‐Oriented Perspective

open access: yesAdvanced Science, EarlyView.
Cryoprotectant design is reframed through the lens of drug discovery as a multiparameter optimization problem. This perspective highlights how AI and systematic design strategies could enable safer, more effective cryoprotectants, while identifying key limitations that currently constrain predictive progress in cryobiology. ABSTRACT Cryopreservation is
Dominika Wilczok   +4 more
wiley   +1 more source

Accurately Deciphering Tissue Heterogeneity From Spatial Multi‐Modal and Multi‐Omics With STransformer

open access: yesAdvanced Science, EarlyView.
STransformer is a unified deep learning framework designed to seamlessly accommodate a comprehensive landscape of spatial data. By simultaneously capturing short‐range cellular interactions and tissue‐wide semantic patterns, it extracts robust representations to accurately dissect complex tissue heterogeneity.
Xingyi Li   +9 more
wiley   +1 more source

Discriminator‐Guided Inverse Folding for Multi‐Property Protein Design

open access: yesAdvanced Science, EarlyView.
Discriminator‐Guided Inverse Folding (DGIF) integrates multiple property predictors trained from single‐property datasets to guide protein sequence generation from a backbone structure. DGIF enables simultaneous improvement of thermostability and solubility without requiring multi‐property annotated datasets and generates designs that move toward the ...
Yuchuan Zheng   +7 more
wiley   +1 more source

FOS3D: A Fluorescence‐Enabled Toolkit for Characterizing a Three‐dimensional Osteosarcoma Model

open access: yesAdvanced Science, EarlyView.
FOS3D describes fluorescent (F) osteosarcoma (OS) cells in a tri‐dimensional (3D) model. The study comprises three phases: development, where biofabrication parameters are tuned to achieve cytocompatibility and tumor‐specific mechanical properties in cell‐laden gelatin methacryloyl constructs; validation, where whole‐well fluorescence reading is ...
William Humble   +9 more
wiley   +1 more source

Pharmacological Inhibition of FKBP51 Mitigates Early Life Adversity‐Induced Social Deficits in Male Mice

open access: yesAdvanced Science, EarlyView.
Early life adversity triggers persistent social subordination and brain‐wide molecular dysregulation. Pharmacological inhibition of the stress‐mediator FKBP51 during the adversity period prevents these long‐term deficits and restores normative social hierarchy.
Joeri Bordes   +15 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

SPADE: A Deep Learning Framework for Spatial Mapping and Quantitative Cell–Cell Interaction Inference

open access: yesAdvanced Science, EarlyView.
SPADE integrates spatial transcriptomics with single‐cell RNA sequencing by using cell–cell communications (CCC) as a guide for spatial mapping. It improves cell‐type localization, enhances sparse gene‐expression signals, and reveals CCC programs at single‐spot resolution.
Xinyi Li, Ning Zhang, Zijie Jin
wiley   +1 more source

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