ArticleAmino acids2023
PepQSAR: a comprehensive data source and information platform for peptide quantitative structure-activity relationships.
Article in Amino acids, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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Who cites it
10 citing papers in PubMed.
- Musical Peptide: Fragmentation of Musical Protein for AI-driven Bioactive Peptide Discovery Based on a New DeepPepQSAR Pipeline.Interdisciplinary sciences, computational life sciences · 2026Article
- Structure-based identification, phosphorylation, cyclization and engineering of a self-binding peptide carboxy-terminal to EGFR kinase domain by integrating dynamics simulation, energetics calculation and fluorescence analysis.European biophysics journal : EBJ · 2026Article
- DeepPepQSAR: all-in-one for comprehensively exploiting the vast molecular diversity space of bioactive peptide universe.Molecular diversity · 2026Article
- Quantitative structure-activity relationship characterization and modeling of length-varying bioactive peptides.Journal of computer-aided molecular design · 2026Article
- Disruption of the intramolecular interaction between human lung cancer-related EGFR kinase domain and carboxy-terminal tail by intra-Tyr1016 phosphorylation or extra-peptidic competitors.Journal of molecular modeling · 2026Article
- Overview and limitations of database in global traditional medicines: A narrative review.Acta pharmacologica Sinica · 2025Review
- Rational design of potent phosphopeptide binders to endocrine Snk PBD domain by integrating machine learning optimization, molecular dynamics simulation, binding energetics rescoring, and in vitro affinity assay.European biophysics journal : EBJ · 2025Article
- Computational design and experimental confirmation of a disulfide-stapled YAP helixJournal of computer-aided molecular design · 2024Article
- Quantitative physics-physiology relationship modeling of human emotional response to Shu music.Frontiers in psychology · 2024Article
- Coupled folding-upon-binding of human tumor suppressor MIG6 to lung cancer EGFR kinase domain and molecular trimming/stapling of MIG6-derived β-hairpins to target the coupling event.European biophysics journal : EBJ · 2023Article
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Authors and funding
10 authors.
Funding
Abstract
Peptide quantitative structure-activity relationships (pQSARs) have been widely applied to the statistical modeling and empirical prediction of peptide activity, property and feature. In the procedure, the peptide structure is characterized at sequence level using amino acid descriptors (AADs) and then correlated with observations by machine learning methods (MLMs), consequently resulting in a variety of quantitative regression models used to explain the structural factors that govern peptide activities, to generalize peptide properties of unknown from known samples, and to design new peptides with desired features. In this study, we developed a comprehensive platform, termed PepQSAR database, which is a systematic collection and decomposition of various data sources and abundant information regarding the pQSARs, including AADs, MLMs, data sets, peptide sequences, measured activities, model statistics, and literatures. The database also provides a comparison function for the various previously built pQSAR models reported by different groups via distinct approaches. The structured and searchable PepQSAR database is expected to provide a useful resource and powerful tool for the computational peptidology community, which is freely available at http://i.uestc.edu.cn/PQsarDB .
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.