Results 221 to 230 of about 13,406 (301)

Diffusion‐Based Generative Model With Scaffold‐Hopping Strategy Yields Highly Potent Bioactive Molecules

Advanced Science, EarlyView.
SMarT‐Diff introduces a multi‐objective generative paradigm that integrates scaffold hopping with structure‐aware scoring to enable controlled exploration beyond the training distribution. The framework consistently balances drug‐likeness, synthesizes accessibility and bioactivity, yielding chemically diverse candidates with enhanced properties.
Yuwei Yang, Xiaoqing Gong, Shukai Gu, Jing Li, Bo Liu, Yanan Tian, Qianqian Zhang, Xiaojun Yao, Huanxiang Liu   +8 more
wiley   +1 more source

Unraveling cooperative and competitive interactions within protein triplets in the human interactome. [PDF]

Sci Rep
Vagiona AC, Mier P, Andrade-Navarro MA.
europepmc   +1 more source

Noninvasive Characterization of Tumor Heterogeneity in HNSCC: From Clinical Utility to Biological Correlates

Advanced Science, EarlyView.
This study establishes a CT‐based radiomics framework to quantify intratumoral heterogeneity (ITH) in HNSCC. Using unsupervised clustering, tumor ROIs and VOIs are analyzed to calculate 2D/3D ITH scores. The score shows strong predictive value for prognosis and immunotherapy response, and is associated with tumor metabolism and immune microenvironment,
Xinwei Chen, Rui Liu, Yuan Zhou, Yin Xiao, Chengmin Feng, Lin Chen, Yanshi Li, Mengna Wang, Zhaobo Cheng, Yuxi Luo, Long Liu, Lijing Niu, Yue Xiang, Juan Peng, Guohua Hu, Min Pan   +15 more
wiley   +1 more source

How surface texture affects consumers' willingness to pay: Evidence from smartphone covers. [PDF]

PLoS One
Kadoya Y, Khan MSR, Nabeshima H, Kuramoto Y, Kurita Y.   +4 more
europepmc   +1 more source

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

Median geometry for spaces with measured walls and for groups. [PDF]

Math Ann
Chatterji I, Druţu C.
europepmc   +1 more source

Intramolecular Interactions between Folded and Disordered Regions Shape Ubiquilin Structure and Function

Advanced Science, EarlyView.
Ubiquilin (UBQLN), like many other human proteins, contains both well‐folded and disordered regions. Here, we show that intramolecular interactions between disordered regions and folded domains modulate between open and closed topologies of UBQLN proteins, altering their structure and function.
Jessica K. Niblo, Nirbhik Acharya, Maxwell B. Watkins, Carlos A. Castañeda, Shahar Sukenik   +4 more
wiley   +1 more source

CellUntangler: Separating distinct biological signals in single-cell data with deep generative models. [PDF]

Cell Genom
Chen S, Regev A, Condon A, Ding J.
europepmc   +1 more source

stMixer for Scalable Mosaic Integration and Label Transfer in Spatial Histology and Multi‐Omics

Advanced Science, EarlyView.
stMixer is an unsupervised framework for scalable integration and label transfer across spatial histology and multi‐slide multi‐omics data with incomplete modality overlap. It combines self‐looped cross‐attention, multimodal metric learning, and graph‐guided cluster voting to align heterogeneous sections, correct batch effects, and propagate ...
Qixing Yang, Yan Wang, Luonan Chen, Chunman Zuo   +3 more
wiley   +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