We present a fully automated Bayesian optimization (BO) protocol for the parameterization of nonbonded interactions in coarse‐grain CG force fields (BACH). Using experimental thermophysical data, we apply the protocol to a broad range of liquids, spanning linear, branched, and unsaturated hydrocarbons, esters, triglycerides, and water.
Janak Prabhu +3 more
wiley +1 more source
Deep-Learning Serial CT Prediction of Survival in Immunotherapy-Treated Non-Small Cell Lung Cancer.
Sako C +22 more
europepmc +1 more source
How does teacher collaboration drive technology adoption? A PLS-SEM analysis of PISA 2022 data. [PDF]
Liu R, Liu F, Li R, Jing B.
europepmc +1 more source
Amyloidogenic Peptide Fragments Designed From Bacterial Collagen‐like Proteins Form Hydrogel
This study identified amyloidogenic sequence motifs in bacterial collagen‐like proteins and exploited these to design peptides that self‐assemble into β‐sheet fibers and form hydrogels. One hydrogel supported healthy fibroblast growth, showing promise for biocompatible materials. Our work demonstrates that bacterial sequences can be harnessed to create
Vamika Sagar +5 more
wiley +1 more source
A dual-branch deep learning framework with Mask-Guided Attention for thyroid nodule classification in ultrasound images. [PDF]
Liu X +9 more
europepmc +1 more source
Engineering Strategies for Stable and Long‐Life Alkaline Zinc‐Based Flow Batteries
Alkaline zinc‐based flow batteries face persistent challenges from unstable zinc deposition, including dendrite growth, passivation, corrosion, and hydrogen evolution, which severely limit cycling stability. Current research addresses these issues through coordinated electrode structuring, electrolyte regulation, and membrane design to control zinc ...
Yuran Bai +6 more
wiley +1 more source
The effects of perceived teacher support on online mathematics learning power: the mediating roles of artificial intelligence literacy and cognitive tools. [PDF]
Hu Y, Liu L, Yang H, Jia X.
europepmc +1 more source
The shape of guanine self‐assemblies is tuned by introducing alkyl (G8), fluoroalkyl (G8f), and oligoether (G8g) side chains into the G moiety. The scanning tunneling microscopy results and calculations show that the presence and type of the side chain strongly affect the G self‐assembly network.
So‐Huei Kang +9 more
wiley +1 more source
Music performance anxiety: Insights from psychological science. [PDF]
Lim S, Dhamabutra N.
europepmc +1 more source
Single‐ and Dual‐Atom Configurations in Atomically Dispersed Catalysts for Lithium–Sulfur Batteries
Single‐atom and dual‐atom‐based atomically dispersed catalysts (ADCs) effectively address the shuttle effect and sluggish redox kinetics in Li–S batteries. With nearly 100% atomic utilization and tunable coordination environments, ADCs enhance LiPSs adsorption, lower conversion barriers, and accelerate sulfur redox reactions.
Haoyang Xu +4 more
wiley +1 more source

