Protein science : a publication of the Protein Society
Aug 1, 2025
The accurate prediction of neurotoxicity in peptides and proteins is essential for the safety evaluation of therapeutic proteins and genetically modified (GM) organisms. Existing tools, including our earlier method NTxPred, typically use a single pre...
Development of targeted covalent inhibitors and covalent ligand-first approaches have emerged as a powerful strategy in drug design, with cysteines being attractive targets due to their nucleophilicity and relative scarcity. While structural biology ...
Predicting functional binding sites in proteins is crucial for understanding protein-protein interactions (PPIs) and identifying drug targets. While various computational approaches exist, many fail to assess PPI ligandability, which often involves c...
Protein science : a publication of the Protein Society
Jul 1, 2025
Accurate prediction of protein function is fundamental to understanding biological processes, with computational methods becoming increasingly essential as experimental methods struggle to keep pace with the rate of newly discovered proteins. Despite...
It is an exciting time for researchers working to link proteins to their functions. Most techniques for extracting functional information from genomic sequences were developed several years ago, with major progress driven by the availability of big d...
MOTIVATION: Allostery, the process by which binding at one site perturbs a distant site, is being rendered as a key focus in the field of drug development with its substantial impact on protein function. The identification of allosteric pockets (site...
Regulation of DNA or RNA at the transcriptional, post-transcriptional, and translational levels are key steps in the central dogma of molecular biology. DNA-binding proteins (DBPs) and RNA-binding proteins (RBPs) play pivotal roles in the precise reg...
IEEE journal of biomedical and health informatics
Jun 1, 2025
Disease is one of the primary factors affecting life activities, with complex etiologies often influenced by gene expression and mutation. Currently, wet lab experiments have analyzed the mechanisms of mutations, but these are usually limited by the ...
Protein function prediction is a fundamental cornerstone in bioinformatics, providing critical insights into biological processes and disease mechanisms. Despite significant advances, challenges persist due to data sparsity and functional ambiguity. ...
Journal of chemical information and modeling
May 26, 2025
Machine learning algorithms have played a fundamental role in the development of therapeutic antibodies by being trained on data sets of sequences and/or structures. However, structural data sets remain limited, especially those that include antibody...
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