Bioactive peptides exhibit a variety of potential applications in the fields of medicine, food and cosmetics. However, studies have shown that the traditional preparation is characterized by low efficiency, substantial pollution, limited activities a...
Journal of chemical information and modeling
Mar 31, 2025
Graph neural networks (GNNs) have achieved remarkable success in drug-target affinity (DTA) analysis, reducing the cost of drug development. Unlike traditional one-dimensional (1D) sequence-based methods, GNNs leverage graph structures to capture ric...
Computer methods and programs in biomedicine
Mar 30, 2025
BACKGROUND AND OBJECTIVE: Protein-protein interactions (PPIs) play the key roles in myriad biological processes, helping to understand the protein function and disease pathology. Identification of PPIs and their interaction types through wet experime...
Cryo-EM has become a vital technique for resolving macromolecular structures at near-atomic resolution, enabling the visualization of proteins and large molecular complexes. However, the images are often accompanied by extremely low SNR, which poses ...
Journal of chemical information and modeling
Mar 28, 2025
With the breakthroughs in protein structure prediction technology, constructing atomic structures from cryo-electron microscopy (cryo-EM) density maps through structural fitting has become increasingly critical. However, the accuracy of the construct...
Protein sequence design in the context of small molecules, nucleotides and metals is critical to enzyme and small-molecule binder and sensor design, but current state-of-the-art deep-learning-based sequence design methods are unable to model nonprote...
The rapid and precise quantification and identification of proteins as key diagnostic biomarkers hold significant promise in allergy testing, disease diagnosis, clinical treatment, and proteomics. This is crucial because alterations in disease-associ...
Journal of bioinformatics and computational biology
Mar 25, 2025
Drug-target interaction (DTI) prediction is pivotal in drug discovery and repurposing, providing a more efficient alternative to traditional wet-lab experiments by saving time and resources and expediting the identification of potential targets. Curr...
Journal of chemical information and modeling
Mar 24, 2025
A complex web of intermolecular interactions defines and regulates biological processes. Understanding this web has been particularly challenging because of the sheer number of actors in biological systems: ∼10 proteins in a typical human cell offer ...
Binding proteins play a crucial role in biological systems by selectively interacting with specific molecules, such as DNA, RNA, or peptides, to regulate various cellular processes. Their ability to recognize and bind target molecules with high speci...
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