Results 151 to 160 of about 34,853 (246)

Machine Learning‐Enhanced Analysis of Exosomal Surface Sialic Acid Using Surface‐Enhanced Raman Spectroscopy for Ovarian Cancer Diagnosis and Therapeutic Monitoring

Advanced Science, EarlyView.
Machine learning‐assisted surface‐enhanced Raman spectroscopy analysis of exosomal sialic acid for ovarian cancer diagnosis, as well as independent monitoring of exosomal sialic acid expression levels across different treatment periods, reveals a potential correlation with treatment response.
Lili Cong, Jiaqi Wang, Sijun Huang, Xiaxia Man, Yi Guo, Shuping Xu, Songling Zhang   +6 more
wiley   +1 more source

Improved Data-Driven Collective Variables for Biased Sampling through Iteration on Biased Data. [PDF]

J Phys Chem B
Sasmal S, McCullagh M, Hocky GM.
europepmc   +1 more source

Generating Dynamic Structures Through Physics‐Based Sampling of Predicted Inter‐Residue Geometries

Advanced Science, EarlyView.
While static structure prediction has been revolutionized, modeling protein dynamics remains elusive. trRosettaX2‐Dynamics is presented to address this challenge. This framework leverages a Transformer‐based network to predict inter‐residue geometric constraints, guiding conformation generation via physics‐based iterative sampling. The resulting method
Chenxiao Xiang, Wenkai Wang, Zhenling Peng, Jianyi Yang   +3 more
wiley   +1 more source

Learning From PU Data Using Disentangled Representations. [PDF]

Proc Int Conf Image Proc
Zamzam O, Akrami H, Soltanolkotabi M, Leahy R.   +3 more
europepmc   +1 more source

AI‐Based D‐Amino Acid Substitution for Optimizing Antimicrobial Peptides to Treat Multidrug‐Resistant Bacterial Infection

Advanced Science, EarlyView.
This study constructed the first D‐amino acid antimicrobial peptide dataset and developed an AI model for efficient screening of substitution sites, with 80% of candidate peptides showing enhanced activity. The lead peptide dR2‐1 demonstrated potent antimicrobial activity in vitro and in vivo, high stability, and low toxicity.
Yinuo Zhao, Qingzhou Kong, Haifan Gong, Lixiang Li, Jialu Fu, Boyao Wan, Peizhu Wang, Xiaojuan Li, Yue Wang, Jinghui Zhang, Yanbo Yu, Xiaoyun Yang, Xiuli Zuo, Haina Wang, Yanqing Li   +14 more
wiley   +1 more source

Mining Structural Information from Gas Chromatography-Electron-Impact Ionization-Mass Spectrometry Data for Analytical-Descriptor-Based Quantitative Structure-Activity Relationship. [PDF]

J Xenobiot
Zushi Y.
europepmc   +1 more source

MELEGROS: Monolithic Elephant‐Inspired Gripper with Optical Sensors

Advanced Science, EarlyView.
MELEGROS is a monolithic, elephant‐inspired soft gripper integrating 3D‐printed optical sensors within a pneumatically actuated lattice. Simulation‐guided design decouples tactile and proprioceptive sensing. Characterized through grasping tests, MELEGROS can reach, scoop, and grasp, showcasing a paradigm where fully embedded sensing and continuous ...
Petr Trunin, Diana Cafiso, Anderson Brazil Nardin, Trevor Exley, Lucia Beccai   +4 more
wiley   +1 more source

Similarity-aware VAE with wavelet-convolutional 1D-CNN for rolling bearing fault diagnosis. [PDF]

PLoS One
Xiong W, Xiao N, Wang R.
europepmc   +1 more source

Addressing Oxygen Embrittlement in Additively Manufactured Titanium via Cu‐Mediated Interstitial Site Engineering

Advanced Science, EarlyView.
A novel “Cu‐mediated interstitial site engineering” strategy is introduced to thermodynamically stabilize hexagonal oxygen (hex‐O) configurations in oxygen‐containing titanium alloys. The hex‐O configuration activates multiple slip systems and enhances dislocation pinning via long‐range repulsion.
Xiaobin Lin, Xudong Rong, Jiachen Xie, Xinru Wang, Jianteng Wang, Zhihang Xu, Dongdong Zhao, Shiwei Pan, Feng Qian, Longlong Ma, Gang Sha, Xiang Zhang, Chunsheng Shi, Chunnian He, Naiqin Zhao   +14 more
wiley   +1 more source

Synergistic Tuning of Conformational Dynamics, Electron Tunneling, and Substrate Positioning Enhances Electron Transfer in a P450 Chimera for Calcifediol Biosynthesis

Advanced Science, EarlyView.
A synergistic electron transfer (ET) optimization strategy modulating conformational dynamics, ET pathway, and substrate orientation is proposed for self‐sufficient cytochrome P450s. Guided by this strategy, a P450 variant with improved ET and catalytic efficiency was identified, and the underlying molecular basis was revealed by computational analysis.
Ziqi Liang, Xitong Song, Shuming Cheng, Yiwen Shen, Jie Zhang, Yaru Wang, Huiying Luo, Bin Yao, Binju Wang, Tao Tu   +9 more
wiley   +1 more source