Results 41 to 50 of about 456 (171)

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

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

Advanced 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, Jesús Valdés‐Hernández, Varinia Bernales, Alán Aspuru‐Guzik, Alex Zhavoronkov   +4 more
wiley   +1 more source

A Wireless 3D Magneto‐Mechanical Stimulation Platform Drives In Situ Chondrogenic Commitment of Endogenous MSCs

Advanced Science, EarlyView.
An intracellular magneto‐mechanical platform utilizing MSC‐targeted nanomotors is developed. After intra‐articular delivery, these nanomotors target endogenous BMSCs and are actuated within lysosomes to execute trans‐planar rotational‐bouncing motions under a rotating‐fluctuating 3D magnetic field, generating amplified mechanical stimulation.
Zhenguang Li, Li Peng, Laiya Lu, Yingying Wang, Xiaolei Chen, Feng Yin, Cuijun Deng, Yu Cheng   +7 more
wiley   +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

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

AI‐Assisted Digital Single‐Molecule Activity Tracker for Decoupling Intrinsic Heterogeneity from Photo‐Oxidative Damage in High‐Photon‐Flux Enzymology

Advanced Science, EarlyView.
Employing a digital single‐molecule activity tracker (dSMAT), this research demonstrates that high‐photon‐flux irradiation drives progressive oxidative scarring in polymerases. Unlike simple thermal denaturation, real‐time kinetic tracking dynamically visualizes enzymes degrading into multiple impaired subpopulations.
Anran Zheng, Qi Yang, Jinze Li, Fuqiang Ma, Xuefeng Wang, Zhen Guo, Chuanyu Li, Dongshu Li, Jia Yao, Zhiqi Zhang, Wei Zhang, Lianqun Zhou   +11 more
wiley   +1 more source

Advancing Fruit Bioimpedance Monitoring With Sustainable, Soft, And Bio‐Based Electrodes Beyond ECG

Advanced Electronic Materials, EarlyView.
Electrical impedance spectroscopy enables non‐destructive fruit quality monitoring, but conventional ECG and needle electrodes compromise signal stability, fruit physiology, and sustainability. This perspective highlights the transition toward soft, biocompatible, and biodegradable electrode interfaces based on natural substrates, bio‐derived ...
Sundus Riaz, Ahmed Rasheed, Angelo Zanella, Almudena Rivadeneyra, Paolo Lugli, Luisa Petti, Pietro Ibba   +6 more
wiley   +1 more source

Mechanically Regulated Nanozymes for Remote Metabolic Reprogramming and Precise Cancer Therapy

Angewandte Chemie, EarlyView.
Inspired by mechanoenzymes, a ferrocene‐based mechanically regulated nanozyme converts acoustic shear force into enhanced peroxidase‐like activity by decreasing electron density and alleviating steric hindrance at the Fe active sites, thereby rewiring redox homeostasis. Leveraging this remote regulatory mechanism, a multienzyme‐regulated nanoreactor is
Fangman Chen, Xiaochun Xie, Hanyao Huang, Ka Hong Wong, Jiying Liu, Hui Fang, Shaowen Wang, Jianfang Cao, Yu Tao, Mingqiang Li, Chao Yang, Wen Sun, Dan Shao, Yunlu Dai   +13 more
wiley   +2 more sources

Cell Segmentation Beyond 2D—A Review of the State‐of‐the‐Art

Advanced Intelligent Discovery, EarlyView.
Cell segmentation underpins many biological image analysis tasks, yet most deep learning methods remain limited to 2D despite the inherently 3D nature of cellular processes. This review surveys segmentation approaches beyond 2D, comparing 2.5D and fully 3D methods, analyzing 31 models and 32 volumetric datasets, and introducing a unified reference ...
Fabian Schmeisser, Haseeb Muhammad, Junaid Younas, Gillian Lovell, Bianca Migliori, Andreas Dengel, Sheraz Ahmed   +6 more
wiley   +1 more source

Autonomous AI‐Driven Design for Skin Product Formulations

Advanced Intelligent Discovery, EarlyView.
This review presents a comprehensive closed‐loop framework for autonomous skin product formulation design. By integrating artificial intelligence‐driven experiment selection with automated multi‐tiered assays, the approach shifts development from trial‐and‐error to intelligent optimisation.
Yu Zhang, Yongrui Xiao, Chunlin Chen, Dimitrios Tsaoulidis, Kai Yang, Tao Chen   +5 more
wiley   +1 more source