Journal of chemical information and modeling
Jan 27, 2026
We present a framework for data-efficient training of machine-learning interatomic potentials for interfacial chemistry, especially heterogeneous catalytic systems. We establish strategies for density functional theory training data generation consis... read more
The global transition to hydrogen-based energy infrastructures faces significant hurdles. Chief among these are the high costs and sustainability issues associated with acid-based proton exchange membrane fuel cells. Anion exchange membrane (AEM) fue... read more
The pursuit of high-energy-density batteries that tolerate extreme conditions and use earth-abundant elements is fundamentally constrained by the slow pace of materials innovation. By enabling broad compositional tuning and property optimization, the... read more
Journal of chemical information and modeling
Jan 27, 2026
Allostery, a crucial phenomenon for comprehending protein function, interactions, and regulation, involves the transmission of perturbations induced by ligand binding to distant sites within a molecule. Understanding the mechanisms of allostery holds... read more
Journal of speech, language, and hearing research : JSLHR
Jan 27, 2026
PURPOSE: We used machine learning (ML) models to investigate the accuracy of a cognitive assessment battery to differentiate developmental language disorder (DLD) and typical development (TD) in monolingual and sequential bilingual children. Addition... read more
Journal of chemical information and modeling
Jan 27, 2026
The use of generative machine learning models, trained on the experimentally resolved structures deposited in the protein data bank, is an attractive approach to sampling conformational ensembles of proteins. However, the ensembles generated by these... read more
Journal of chemical information and modeling
Jan 27, 2026
MicroRNAs (miRNAs) play critical roles in regulating various biological processes and offer significant potential for treating human diseases. Aberrant expression of miRNAs is known to contribute to drug resistance/sensitivity, posing a significant c... read more
Cognitive impairments are common in individuals with temporal lobe epilepsy (TLE). Interactive Kinarm robotic systems provide a novel approach to quantify cognitive impairment. The Object Hit and Avoid (OHA) and Reverse Visually Guided Reaching (RVGR... read more
Designing a high-entropy alloy is a promising approach for stabilizing the Li anode, but selecting appropriate elemental compositions and developing scalable fabrication methods are key to optimizing its performance and promoting practical applicatio... read more
Cell detection is ubiquitous in the analysis of microfluidic cell assays. In cell biology, immunology, oncology, and toxicology research, studying cellular response starts with identifying the cells on chip. The large amount of data generated in such... read more
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