Results 201 to 210 of about 308,059 (252)

Exploring the Anti-Inflammatory Potential of Saudi Propolis Through Phytochemical Characterization, Molecular Docking, and Dynamic Simulation. [PDF]

Pharmaceutics
Aati H, Alqahtani JH, Al-Taweel A, Aati SY.   +3 more
europepmc   +1 more source

The Interoperability Challenge in DFT Workflows Across Implementations

Advanced Intelligent Discovery, EarlyView.
Interoperability and cross‐validation remain major challenges in the computational materials science. In this work, we introduce a common input/output standard that enables internal translation across multiple workflow managers—AiiDA, PerQueue, Pipeline Pilot, and SimStack—while producing results in a unified schema.
Simon K. Steensen, Tushar Singh Thakur, Manuel Dillenz, Johan M. Carlsson, Celso R. C. Rêgo, Eibar Flores, Hamidreza Hajiyani, Felix Hanke, Juan María García Lastra, Wolfgang Wenzel, Nicola Marzari, Tejs Vegge, Giovanni Pizzi, Ivano E. Castelli   +13 more
wiley   +1 more source

Anion-exchange chromatography separates structurally heterogeneous and low-potency particles in adeno-associated virus manufacture. [PDF]

Mol Ther Adv
Tsunaka Y, Makihira H, Kono H, Yang Z, Lyu X, Soth S, Fukuhara M, Shibuya R, Yamaguchi Y, Uchiyama S.   +9 more
europepmc   +1 more source

MolMiner: Toward Controllable, Three‐Dimensional‐Aware, Fragment‐Based Molecular Design

Advanced Intelligent Discovery, EarlyView.
MolMiner is a fragment‐based, geometry‐aware, and order‐agnostic generative model for molecular design with strong inductive biases. Using symmetry‐aware fragment assembly, dynamic three‐dimensional geometry, and multi‐property conditioning, MolMiner enables interpretable and controllable molecular generation.
Raul Ortega‐Ochoa, Tejs Vegge, Jes Frellsen   +2 more
wiley   +1 more source

Age-Related Neurodevelopmental Patterns of Visuospatial Attention Deficits in Children and Adolescents with ADHD: ERP Evidence for Late-Stage Cognitive Control Impairment. [PDF]

Biology (Basel)
Wang E, Zhang X, Ma Y.
europepmc   +1 more source

Catalyst‐Specialized Chemical Language Model Based on Transformer Variational Autoencoder for Catalyst Design and Discovery

Advanced Intelligent Discovery, EarlyView.
We present CatTransVAE, a catalyst‐specialized chemical language model (CLM) built on a transformer variational autoencoder (VAE), developed through pretraining on general compounds followed by fine‐tuning on diverse catalyst databases. A template‐guided generation framework is introduced to enable controlled catalyst design under structural ...
Apakorn Kengkanna, Masahito Ohue
wiley   +1 more source

Non-Fluorinated Functional Polyolefin for Puncture-Resistant and Self-Healable Proton Exchange Membranes of Fuel Cells. [PDF]

Angew Chem Int Ed Engl
Liu Y, Liu L, Zheng S, Gao Y, Yin P, Hou Z, Wang H.   +6 more
europepmc   +1 more source

Self‐Sensing Artificial‐Muscle‐Empowered Humanlike Perception, Interaction, and Positioning

Advanced Intelligent Systems, Volume 7, Issue 3, March 2025.
The proposed self‐sensorized artificial muscle (SSAM) can sense its length change as small as 0.01 mm via a seamlessly integrated multi‐segment induction coil. The SSAM provides accurate length information regardless of its loadings, driving pressure, or muscle design, adequate for robust data‐driven feedback control.
Houping Wu, Chenchen Li, Yufeng Wang, Zhengyan Wang, Yulian Peng, Zhipeng Wei, Hongbo Wang   +6 more
wiley   +1 more source

YOLO11-ECA: A Lightweight Tea Bud Detection Method for Complex Tea Plantation Environments. [PDF]

Sensors (Basel)
Wang Z, Liao X, Jiang Y, You H, Liao W, Li Y.   +5 more
europepmc   +1 more source