Journal of chemical information and modeling
Sep 17, 2025
Molecular dynamics simulations based on coarse-grained (CG) models are used to accelerate conformational dynamics of biomolecules and other chemical systems with reduced computational costs. CG models achieve this by discarding atomic information nec...
BACKGROUND: Underwater environments face challenges with image degradation due to light absorption and scattering, resulting in blurring, reduced contrast, and color distortion. This significantly impacts underwater exploration and environmental moni...
Biosimilar artificial mucus models that mimic native mucus facilitate efficient, lab-based drug diffusion studies, addressing the costly and challenging preclinical phase of drug development, especially for nano- and micro-scale particle-based coloni...
Raman spectroscopy has attracted significant attention in various biochemical detection fields, especially in the rapid identification of pathogenic bacteria. The integration of this technology with deep learning to facilitate automated bacterial Ram...
Journal of chemical information and modeling
Jul 4, 2025
Super-enhancers (SEs) are cis-regulatory elements that play crucial roles in gene expression and are implicated in diseases such as cancer and Alzheimer's. Traditional identification methods rely on ChIP-seq experiments, which are costly and time-con...
Magnetic resonance imaging (MRI) is essential in clinical and research contexts, providing exceptional soft-tissue contrast. However, prolonged acquisition times often lead to patient discomfort and motion artifacts. Diffusion-based deep learning sup...
Virtual staining of tissue offers a powerful tool for transforming label-free microscopy images of unstained tissue into equivalents of histochemically stained samples. This study presents a diffusion model-based pixel super-resolution virtual staini...
Journal of chemical information and modeling
May 20, 2025
Significant advancements have been made in utilizing artificial intelligence to learn to generate molecular conformations, which has greatly facilitated the discovery of drug molecules. In particular, the rapid development of diffusion models has led...
Subcellular diffusion in living systems reflects cellular processes and interactions. Recent advances in optical microscopy allow the tracking of this nanoscale diffusion of individual objects with unprecedented precision. However, the agnostic and a...
BACKGROUND: Unsupervised traumatic brain injury (TBI) lesion detection aims to identify and segment abnormal regions, such as cerebral edema and hemorrhages, using only healthy training data. Recent advancements in generative models have achieved suc...
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