Results 131 to 140 of about 30,894 (260)

Revisiting Target‐Aware de novo Molecular Generation with TarPass: Between Rational Design and Texas Sharpshooter

open access: yesAdvanced Science, EarlyView.
TarPass provides a rigorous benchmark for target‐aware de novo molecular generation by jointly evaluating protein‐ligand interactions, molecular plausibility, and drug‐likeness on 18 well‐studied targets. Results show that current models often fail to consistently surpass random baseline in target‐specific enrichment, while post hoc multi‐tier virtual ...
Rui Qin   +11 more
wiley   +1 more source

Data‐Driven Modeling of Composition–Processing–Microstructure Relations for Recycled Aluminum Cast Alloys

open access: yesAdvanced Science, EarlyView.
Interpretable machine learning reveals how composition and processing govern the formation and microstructural burden of Fe‐rich intermetallic compounds in recycled Al–Si–Fe–Mn alloys. By separating morphology selection from morphology‐conditioned burden partitioning, this framework shows that identical Fe contents can yield different intermetallic ...
Jaemin Wang   +2 more
wiley   +1 more source

Caveolin‐1 Stabilizes SERCA2 to Counteract Acute Kidney Injury via Suppression of Ca2+‐Dependent Endoplasmic Reticulum Stress in Distal Tubules

open access: yesAdvanced Science, EarlyView.
In AKI, initial kidney injury upregulates the expression of Cav‐1, which subsequently binds to and stabilizes SERCA2 via its scaffolding domain and through deubiquitination, thereby regulating Ca2+ homeostasis and ER stress. Conversely, Cav‐1 deficiency accelerates SERCA2 degradation, triggering Ca2+ overload and ER stress, and ultimately exacerbating ...
Yan Zhang   +19 more
wiley   +1 more source

A Viscous DES‐AAV‐Foxo1 Delivery System With High Transfection Efficiency for the Treatment of Corneal Endothelial Dysfunction by Restoring Mitochondria‐ER Contacts

open access: yesAdvanced Science, EarlyView.
High glucose triggers corneal endothelial dysfunction by impairing FOXO1‐mediated ITPR1 transcription, leading to disrupted mitochondria‐associated membrane (MAM) integrity and defective ER‐to‐mitochondria Ca2+ transfer. This study develops an innovative viscous DES‐AAV‐Foxo1 delivery system with enhanced transfection efficiency. This non‐invasive gene
Hongran Zhao   +10 more
wiley   +1 more source

Copernicus Data Space Ecosystem establishes public cloud processing for earth observation data. [PDF]

open access: yesSci Data
D Kovács D   +5 more
europepmc   +1 more source

Natural Resistance to Ovarian Hyperstimulation Syndrome in Estrildid Finches Reveals Macrophage GPR183 as a Potential Therapeutic Target

open access: yesAdvanced Science, EarlyView.
Ovarian macrophage depletion reverses OHSS resistance in estrildid finches and exacerbates OHSS symptoms in rats. Activating macrophage GPR183 alleviates OHSS by reducing pro‐inflammatory factors, increasing immunomodulatory molecules, remodeling CD44/SDC4‐mediated communication, and restoring immune homeostasis.
Xiaofei Yan   +11 more
wiley   +1 more source

PERC: a suite of software tools for the curation of cryoEM data with application to simulation, modeling and machine learning. [PDF]

open access: yesActa Crystallogr F Struct Biol Commun
Costa-Gomes B   +10 more
europepmc   +1 more source

Combining Spatial Multi‐Omics Data to Decipher Spatial Domains and Elucidate Cell Heterogeneity Based on Self‐Supervised Graph Learning

open access: yesAdvanced Science, EarlyView.
A self‐supervised multi‐view graph fusion framework integrates spatial multi‐omics, excelling in domain identification and denoising. It reconstructs spatial pseudo‐expression, jointly analyzes multi‐omics data, infers RNA velocity, predicts spatial omics features from single‐cell multi‐omics, and detects spatially dark genes and transcription factors,
Yuejing Lu   +8 more
wiley   +1 more source

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