The existing, semisupervised, spectral clustering approaches have two major drawbacks, i.e., either they cannot cope with multiple categories of supervision or they sometimes exhibit unstable effectiveness. To address these issues, two normalized affinity and penalty jointly constrained spectral clustering frameworks as well as their corresponding algorithms, referred to as type-I affinity and penalty jointly constrained spectral clustering (TI-APJCSC) and type-II affinity and penalty jointly constrained spectral clustering (TII-APJCSC), respectively, are proposed in this paper. TI refers to type-I and TII to type-II. The significance of this paper is fourfold. First, benefiting from the distinctive affinity and penalty jointly constrained strategies, both TI-APJCSC and TII-APJCSC are substantially more effective than the existing methods. Second, both TI-APJCSC and TII-APJCSC are fully compatible with the three well-known categories of supervision, i.e., class labels, pairwise constraints, and grouping information. Third, owing to the delicate framework normalization, both TI-APJCSC and TII-APJCSC are quite flexible. With a simple tradeoff factor varying in the small fixed interval (0, 1], they can self-adapt to any semisupervised scenario. Finally, both TI-APJCSC and TII-APJCSC demonstrate strong robustness, not only to the number of pairwise constraints but also to the parameter for affinity measurement. As such, the novel TI-APJCSC and TII-APJCSC algorithms are very practical for medium- and small-scale semisupervised data sets. The experimental studies thoroughly evaluated and demonstrated these advantages on both synthetic and real-life semisupervised data sets.
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http://dx.doi.org/10.1109/TNNLS.2015.2511179 | DOI Listing |
Peptide therapeutics, a major class of medicines, have achieved remarkable success across diseases such as diabetes and cancer, with landmark examples such as GLP-1 receptor agonists revolutionizing the treatment of type-2 diabetes and obesity. Despite their success, designing peptides that satisfy multiple conflicting objectives, such as target binding affinity, solubility, and membrane permeability, remains a major challenge. Classical drug development and structure-based design are ineffective for such tasks, as they fail to optimize global functional properties critical for therapeutic efficacy.
View Article and Find Full Text PDFProteins
January 2025
Department of Chemistry, Indian Institute of Technology Bombay, Mumbai, India.
Short-length peptides are used as therapeutics due to their high target specificity and low toxicity; for example, peptides are designed for targeting the interaction between oncogenic protein p53 and E3 ubiquitin ligase MDM2. These peptide therapeutics form a class of successful inhibitors. To design such peptide-based inhibitors, stapling is one of the methods in which amino acid side chains are stitched together to get conformationally rigid peptides, ensuring effective binding to their partners.
View Article and Find Full Text PDFJ Inorg Biochem
March 2025
Faculty of Chemistry (UPV/EHU), Manuel Lardizabal 3, Donostia-San Sebastian 20018, Spain; DIPC, Manuel Lardizabal 4, Donostia-San Sebastian 20018, Spain. Electronic address:
Mimosine, a non-essential amino acid derived from plants, has a strong affinity for binding divalent and trivalent metal cations, including Zn, Ni, Fe, and Al. This ability endows mimosine with significant antimicrobial and anti-cancer properties, making it a promising candidate for therapeutic applications. Previous research has demonstrated the effectiveness of mimosine-containing peptides as metal chelators, offering a safer alternative to conventional chelation agents.
View Article and Find Full Text PDFJ Mol Recognit
December 2024
Department of Gynecology, Affiliated Changzhou Second People's Hospital of Nanjing Medical University, Changzhou, China.
Transcriptional enhanced associate domain (Tead)-mediated Hippo signaling pathway regulates diverse physiological processes; its dysfunction has been implicated in an increasing number of human gynecological cancers. The transcriptional coactivator with PDZ-binding motif (Taz) binds to and then activates Tead through forming a three-helix bundle (THB) at their complex interface. The THB is defined by a double-helical hairpin from Tead and a single α-helix from Taz, serving as the key interaction hotspot between Tead and Taz.
View Article and Find Full Text PDFAnal Chem
December 2024
Department of Mechanical and Biomedical Engineering, Ewha Womans University, Seoul 03760, Republic of Korea.
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