Results 51 to 60 of about 1,710 (129)
Mapping Trofinetide Polypharmacology in Rett Syndrome: A Multi‐Stage Computational Analysis
Journal of Computational Chemistry, Volume 47, Issue 21, August 5, 2026.How can a single molecule address the complex symptoms of Rett syndrome? This computational study maps the multi‐target mechanism of trofinetide, revealing diverse modes of binding across five key receptors: GAT1, GABAA, CHRM1, AMPA, and GSK3β. From deep orthosteric anchoring to dynamic surface interactions, these structural insights provide a rational
Luis Felipe Hernández‐Ayala +2 more
wiley +1 more source
Decoding Spatial Heterogeneity and Multi‐Omics Regulation with Hierarchical Graph Learning
Advanced Science, Volume 13, Issue 43, 3 August 2026.ABSTRACT Recent advances in spatial multi‐omics technologies have enabled the simultaneous profiling of multiple molecular layers within the same tissue slice, providing unprecedented opportunities to investigate tissue spatial organization. However, most existing computational methods identify spatial domains in a purely data‐driven manner, rarely ...
Jiazhou Chen +6 more
wiley +1 more source
Advanced Physics Research, Volume 5, Issue 8, August 2026.A physics‐grounded framework based on decoherence timescales (τ_dec vs τ_func), Markovian validity, and falsifiability criteria is applied across molecular systems to distinguish where quantum effects are necessary, marginal, or irrelevant. The analysis integrates quantum chemistry, biological quantum mechanisms, and quantum computing under a unified ...
Sarfaraz K. Niazi
wiley +1 more source
Ecology and Evolution, Volume 16, Issue 8, August 2026.This study reports the complete chloroplast genome of Salvia reflexa and compares it with those of other invasive and non‐invasive Salvia species to explore genomic features associated with invasiveness. The chloroplast genome exhibits a typical quadripartite structure and shows high conservation within the genus, while several hypervariable regions ...
Lina Ding +7 more
wiley +1 more source
Energy Science &Engineering, Volume 14, Issue 8, Page 3674-3696, August 2026.This paper proposes a decentralized peer‐to‐peer federated learning framework for wind turbine bearing remaining useful life prediction, introducing a virtual client paradigm in which statistical health indicators serve as independent feature‐level clients—enabling privacy‐preserving collaborative prognostics from a single physical asset under ...
Jihene Sidhom +2 more
wiley +1 more source
Journal of Biochemical and Molecular Toxicology, Volume 40, Issue 8, August 2026.Goniothalamin (GTN) exerts anticancer effects by promoting reactive oxygen species (ROS) generation, glutathione (GSH) depletion, DNA damage, endoplasmic reticulum (ER) stress, and mitochondrial dysfunction. These interconnected events trigger apoptosis, necroptosis, anoikis, and autophagy, while modulating mitogen‐activated protein kinase (MAPK ...
Nataša Joković +6 more
wiley +1 more source
Persistent sheaf Laplacian analysis of protein stability and solubility changes upon mutation
Protein Science, Volume 35, Issue 8, August 2026.Abstract Genetic mutations frequently disrupt protein structure, stability, and solubility, acting as primary drivers for a wide spectrum of diseases. Despite the critical importance of these molecular alterations, existing computational models often lack interpretability and fail to integrate essential physicochemical interactions.
Yiming Ren +4 more
wiley +1 more source
Proteins: Structure, Function, and Bioinformatics, Volume 94, Issue 8, Page 1529-1540, August 2026.ABSTRACT BorF is a short‐chain flavin reductase from a desert soil bacterium that uses NADH to reduce FAD to FADH2, which is used by the tryptophan‐6‐halogenase BorH to chlorinate tryptophan in the biosynthetic pathway of borregomycin A. The X‐ray crystal structure of BorF bound to FAD was solved to 2.37 Å by molecular replacement.
Zheng Ma +3 more
wiley +1 more source
Statistical Analysis and Data Mining: An ASA Data Science Journal, Volume 19, Issue 4, August 2026.ABSTRACT Conformity of observed data with a postulated probability distribution is a fundamental problem of statistical modeling. Current tools for checking distributional conformity are often limited to univariate settings, with extensions to multivariate distributions facing challenges in interpretability and power.
Rasha Alsaadawi, Nitai D. Mukhopadhyay
wiley +1 more source
Intrinsic Shape LDA With Application to Body Human Shapes Classification
Statistical Analysis and Data Mining: An ASA Data Science Journal, Volume 19, Issue 4, August 2026.ABSTRACT Advancements in 3D scanning and cloud infrastructure enable the acquisition and analysis of high‐density body surface datasets. In this work, we propose a novel methodology that extends linear discriminant analysis (LDA) to Kendall's shape space for the classification of 3D objects, specifically human body shapes.
Jorge Valero +3 more
wiley +1 more source