ArticleNucleic acids research2023
HProteome-BSite: predicted binding sites and ligands in human 3D proteome.
Article in Nucleic acids research, 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, 20 citations in OpenAlex.
- Computational Ligand-Binding Site Prediction.Advances in experimental medicine and biology · 2026Review
- Computational approaches to druggable site identification: Current status and future perspective.Acta pharmaceutica Sinica. B · 2026Review
- The Human Omnibus of Targetable Pockets.Journal of cheminformatics · 2025Article
- Chemical structure drives developmental toxicity of alkyl-substituted naphthalenes in zebrafish.Environment international · 2025Article
- Databases of ligand-binding pockets and protein-ligand interactions.Computational and structural biotechnology journal · 2024Review
- Comprehensive detection and characterization of human druggable pockets through binding site descriptors.Nature communications · 2024Article
- Q-BioLiP: A Comprehensive Resource for Quaternary Structure-based Protein-ligand Interactions.Genomics, proteomics & bioinformatics · 2024Article
- Article
- The 2023 Nucleic Acids Research Database Issue and the online molecular biology database collection.Nucleic acids research · 2023Article
- On the importance for drug discovery of a transnational Latin American database of natural compound structures.Frontiers in pharmacology · 2023Article
Corrections and comments
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Atomic-level knowledge of protein-ligand interactions allows a detailed understanding of protein functions and provides critical clues to discovering molecules regulating the functions. While recent innovative deep learning methods for protein structure prediction dramatically increased the structural coverage of the human proteome, molecular interactions remain largely unknown. A new database, HProteome-BSite, provides predictions of binding sites and ligands in the enlarged 3D human proteome. The model structures for human proteins from the AlphaFold Protein Structure Database were processed to structural domains of high confidence to maximize the coverage and reliability of interaction prediction. For ligand binding site prediction, an updated version of a template-based method GalaxySite was used. A high-level performance of the updated GalaxySite was confirmed. HProteome-BSite covers 80.74% of the UniProt entries in the AlphaFold human 3D proteome. Predicted binding sites and binding poses of potential ligands are provided for effective applications to further functional studies and drug discovery. The HProteome-BSite database is available at https://galaxy.seoklab.org/hproteome-bsite/database and is free and open to all users.
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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.