Results 131 to 140 of about 2,764 (264)

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

A Generalization of the Least General Generalization

open access: yesA Generalization of the Least General Generalization
In this paper, we describe a polynomial time algorithm, called a k-minimal multiple generalization (k-mmg) algorithm, where $ k gep 1$, and its application to inductive learning problems. The algorithm is a natural extension of the least general generalization algorithm developed by Plotkin.
openaire  

Construction of Sabatier Volcanoes for CO2 Hydrogenation to C1‐2 Oxygenates Using Data‐Efficient Machine Learning

open access: yesAdvanced Science, EarlyView.
A new data‐efficient framework combining DFT calculations, a neural network model, and automated graph analysis of catalytic reaction networks is proposed and applied to CO2 hydrogenation on transition metal nanoparticles. The analysis shows how efficient C2 oxygenate production requires a balance between CHx formation, C–C coupling, protonation, and ...
Mikhail V. Polynski, Sergey M. Kozlov
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

Surfaceome Reprogramming of Stemsomes Promotes Lung Cancer Targeting via Potentiated Receptor–Ligand Interactions

open access: yesAdvanced Science, EarlyView.
This study presents a surfaceome‐reprogramming strategy for mutation‐independent lung cancer therapy by repurposing dexamethasone to prime mesenchymal stem cell‐derived nanovesicles. The engineered vesicles leverage multi‐valent interactions mediated by upregulated adhesion proteins, EPHA2, and NOTCH3.
Geunhye Kim   +8 more
wiley   +1 more source

Learning Moisture‐Induced Damage From Vision: Diffusion Models for Real‐Time Monitoring of Additive Manufacturing Processes

open access: yesAdvanced Science, EarlyView.
We introduce a vision‐based real‐time monitoring system for additive manufacturing that detects subtle moisture‐induced degradation via a diffusion model‐based framework. The approach enables nondestructive assessment of moisture‐induced damage level and mechanical performance and establishes a practical route toward more intelligent, reliable, and ...
Jiyoung Jung   +4 more
wiley   +1 more source

How Proton Incorporation Reshapes Lattice Dynamics In BaSnO3‐Type Proton Conductors

open access: yesAdvanced Science, EarlyView.
Yttrium‐doped BaSnO3 exhibits isotope‐dependent changes in its low‐energy vibrational density of states upon hydration. Comparison of dry, H2O‐, and D2O‐treated samples re‐veals mass‐dependent phonon renormalization linked to proton dynamics near oxygen va‐cancies, providing experimental insight into hydrogen‐coupled lattice excitations in proton ...
Artur Braun   +9 more
wiley   +1 more source

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