Journal of chemical information and modeling
Oct 16, 2025
The analysis and prediction of antibody-antigen (Ab-Ag) interactions often overlook critical structural features such as glycosylation and important physicochemical conditions like pH and salt concentration. Additionally, the field lacks standardized...
BACKGROUND: The identification of protein-protein interaction (PPI) plays a crucial role in understanding the mechanisms of complex biological processes. Current research in predicting PPI has shown remarkable progress by integrating protein informat...
Bacteriophages, viruses infecting bacteria, are estimated to outnumber their cellular hosts by 10-fold, acting as key players in all microbial ecosystems. Under evolutionary pressure by their host, they evolve rapidly and encode a large diversity of ...
Artificial intelligence is revolutionizing structural bioinformatics, with AlphaFold arguably being the most impactful development to date. The structural atlases generated by these methods present significant opportunities for unraveling biological ...
Antibodies are naturally evolved molecular recognition scaffolds that can bind a variety of surfaces. Their designability is crucial to the development of biologics, with computational methods holding promise in accelerating the delivery of medicines...
Metaproteomics offers a powerful window into the active functions of microbial communities, but accurately identifying peptides remains challenging due to the size and incompleteness of protein databases derived from metagenomes. These databases ofte...
Journal of computer-aided molecular design
Oct 6, 2025
Protein pockets, or small cavities on the protein surface, are critical sites for enzymatic catalysis, molecular recognition, and drug binding. Accurately identifying these pockets is crucial for understanding protein function and designing therapeut...
The flood of protein structural Big Data is coming. With the belief that biotech researchers deserve powerful analysis engines to overcome the challenge of rapidly increasing computational demands, we are devoted to developing efficient protein struc...
The advancements in neuroscience research and omics technologies generate extensive data for brain-related diseases and disorders that are scattered across various manuscript repositories and databases, potentially hindering global initiatives to adv...
The identification of bitter peptides is crucial in various domains, including food science, drug discovery, and biochemical research. These peptides not only contribute to the undesirable taste of hydrolyzed proteins but also play key roles in physi...
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