Journal of chemical theory and computation
Sep 2, 2025
Sodium-proton antiporter NhaA of is a paradigm to investigate the mechanistic basis of the fundamental Na/H exchange in cells. However, all existing crystal structures of NhaA are inward-facing (IF), and the putative outward-facing (OF) structures a...
Journal of chemical information and modeling
Aug 29, 2025
Antimicrobial Peptides (AMPs) are a promising strategy to address bacterial resistance, yet only a limited number have advanced to clinical trials. Recent advances in deep learning provide new opportunities for AMP design. Here, we propose an integra...
Wound healing is a complex process that can be compromised by bacterial infections, leading to delayed healing and an increased risk of complications. The aim of this study was to design and develop a novel antibacterial peptide, Healitide-GP1, which...
This research investigates the impact of bacterial growth on the pH of culture media, emphasizing its significance in microbiological and biotechnological applications. A range of sophisticated artificial intelligence methods, including One-Dimension...
Whole-cell biosensors (WCBs), which detect targeting analytes through cellular responses, have become powerful tools for environmental monitoring. However, existing WCBs often rely on the single-channel low-dimension signal outputs (e.g., fluorescenc...
Metabolomics : Official journal of the Metabolomic Society
Aug 12, 2025
INTRODUCTION: The degree of antimicrobial resistance demonstrated by carbapenemase-producing Enterobacterales (CPE) represents a growing public health challenge. Conventional methods for detecting CPE involve culture-based techniques with lengthy inc...
Ionic liquids (ILs) with tunable structures have emerged as promising next-generation biocides. In this study, we presented an ML-based q-RASTR framework, along with i-qRASTTR approach, to predict the toxicity of ILs against different bacteria. Vario...
Conductive hydrogels based on hydroxypropyl methyl cellulose (HPMC) show great potential in flexible sensors due to their low price and good biocompatibility. Nevertheless, the design of such conductive hydrogels with superior flexible deformability,...
Raman spectroscopy is an enticing tool for the rapid identification of pathogenic bacteria and has the potential to meet the demand for early diagnosis and timely treatment of patients. However, it remains a challenge to devise a reliable Raman detec...
The challenge of assessing intracellular accumulation represents a major hurdle to the discovery of new antibiotics with Gram-negative activity. To address this, a high-throughput assay was developed to measure compound uptake and retention in Escher...
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