Results 171 to 180 of about 61,046 (248)

PhosSight: A Unified Deep Learning Framework Boosting and Accelerating Phosphoproteome Identification to Enable Biological Discoveries

Advanced Science, EarlyView.
PhosSight is a unified deep‐learning framework for phosphoproteome identification, featured by a phosphorylation‐aware detectability predictor. It improves identification sensitivity in DDA through deep re‐localization and rescoring, accelerates DIA searches by detectability‐guided spectral library pruning, and expands phosphoproteome coverage to ...
Ben Wang, Zhiyuan Cheng, Chengying She, Hongwei Zhao, Jiahui Zhang, Lin Lv, Zhihao Yan, Hongwen Zhu, Lizhuang Liu, Yan Fu, Xinpei Yi   +10 more
wiley   +1 more source

Beyond d‐Band Catalysis: A Critical Review and Descriptor Framework for Rare‐Earth Engineering in Lithium–Sulfur Batteries

Advanced Science, EarlyView.
Rare‐earth catalysts regulate lithium–sulfur battery chemistry through f‐orbital–mediated interactions, enabling simultaneous polysulfide adsorption and catalytic conversion on conductive carbon hosts. This synergistic control suppresses the shuttle effect, accelerates redox kinetics, and guides stable Li2S nucleation, providing a mechanistic framework
Fan Wang, Shihzad Shakil, Guozhi Wu, Jiarui Huang, Hanhui Lei, Terence Xiaoteng Liu   +5 more
wiley   +1 more source

The learning effect in repeated Yo-Yo intermittent recovery tests in adults with different levels of physical fitness. [PDF]

Sci Rep
Pacholek M, Prieto-González P, Zemková E.   +2 more
europepmc   +1 more source

Automated Extraction of Multicomponent Alloy Data Using Large Language Models for Sustainable Design

Advanced Science, EarlyView.
A large language model (LLM) based pipeline is developed to automatically extract a comprehensive and accurate multicomponent alloy database from literature corpus. The extracted dataset is integrated with sustainability indicators to identify potential alloys that outperform existing industrial benchmark materials in terms of both performance and ...
Aravindan Kamatchi Sundaram, Mohit Chakraborty, Sai Mani Kumar Devathi, B. Pabitramohan Prusty, Rohit Batra   +4 more
wiley   +1 more source

Exploring celecoxib polymorph landscape using AIMNet2 machine learning interatomic potential. [PDF]

Chem Sci
Zheng P, Abramov YA, Sun CC, Isayev O.
europepmc   +1 more source

PDIA6–SCD1 Axis Rewires Lipid Metabolism to Drive Gastric Cancer Progression

Advanced Science, EarlyView.
Protein disulfide isomerase A6 (PDIA6) is identified as an oncogenic driver in gastric cancer. PDIA6 directly binds and stabilizes SCD1 by limiting its ubiquitin–proteasome‐mediated degradation, thereby sustaining monounsaturated fatty acid (MUFA)‐enriched lipid homeostasis and lipid metabolic reprogramming.
Zhen Tian, Yifan Cheng, Jiajie Zhou, Ruiqi Li, Shuai Zhao, Ben Li, Zijie Xu, Mengli Zi, Yayan Fu, Chenkai Zhang, Qiannan Sun, Shantanu Baral, Sen Wang, Daorong Wang   +13 more
wiley   +1 more source

Effects of virtual reality training on racket sports performance: A systematic review and meta-analysis of controlled trials. [PDF]

PLoS One
Liu R, Yusof Hanafi HA, Zhong Z, Hami R.
europepmc   +1 more source

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

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

Advanced 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

MAPLE: a machine-learning force-field-native platform for automated reaction modeling and enzyme design. [PDF]

Chem Sci
Wang X, Sun Z, Zhang Y, Asam C, Zhu R, Li WL, Wang J.   +6 more
europepmc   +1 more source