Results 221 to 230 of about 248,031 (304)

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

Advanced 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, Da‐Wen Sun, QingYi Wei, Yibing Zhang, Jidong Tang, Hongbin Pu   +5 more
wiley   +1 more source

Kernel Choice for Unsupervised Kernel Methods

Kernel Choice for Unsupervised Kernel Methods
application/pdf ...
openaire  

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

Advanced 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, Qihang Zhen, Zexin Lv, Xinyue Cui, Suhui Wang, Minghua Hou, Zhan Zhou, Xiaogen Zhou, Guijun Zhang   +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

Advanced 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, Yunlong Li, Hanmeng Liu, Peng Zhang, Mingjing Wang, Quanwei Sun, Wenshuo Yang, Zhengwei Song, Song Tan, Ye Yang, Peng She, Dengke Yin, Wei Shen   +12 more
wiley   +1 more source

Towards optimized CT lung cancer screening scan protocols. [PDF]

Br J Radiol
Iball GR, Porter CA.
europepmc   +1 more source

AI‐Physics‐Experiment Trinity for Integrated Protein Dynamics Modeling

Advanced 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, Minying Low, Peng Xiu, Kresten Lindorff‐Larsen, Yong Wang   +4 more
wiley   +1 more source

Kernel-based dynamic ensemble approach for classifying imbalanced data with overlapping classes. [PDF]

Sci Rep
Abokadr S, Azman A, Hamdan H, Nasharuddin NA.   +3 more
europepmc   +1 more source

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

Advanced 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, Asad Mehmood, Jian Liang Low, Shu‐Han Wu, Carsten Prinz, Ana Guilherme Buzanich, Jörg Radnik, Paul A. Appel, Franziska Emmerling, Tim‐Patrick Fellinger   +9 more
wiley   +1 more source

Phenolic Acid Distribution in Wheat Pearling Fractions Using Microwave-Assisted Extraction. [PDF]

Foods
Kirusnaruban K, Gasparre N, Nandasiri R, Eskin MNA, Rosell CM.   +4 more
europepmc   +1 more source

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

Advanced 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, Wei Xuan Wilson Loo, Yan Shan Loo, Wen Xin Tan, Hui Xuan Lim, Huitao Liu, Chen Seng Ng   +6 more
wiley   +1 more source