ArticleComputational and structural biotechnology journal2025
Predicting the location of coordinated metal ion-ligand binding sites using geometry-aware graph neural networks.
Article in Computational and structural biotechnology journal, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
3 citing papers in PubMed.
- Master of Metals2: a graph neural network based architecture for the prediction of zinc binding sites in protein structures.Briefings in bioinformatics · 2026Article
- A Glimpse in the Metal Ion Selectivity Rules: Zn(II), Cd(II) and Co(II) Interplay With Different Protein Coordination Spheres in Determining Variable Thermal Stability and Folding Scenarios.Bioinorganic chemistry and applications · 2026Article
- Benchmarking Zinc-Binding Site Predictors: A Comparative Analysis of Structure-Based Approaches.Journal of chemical information and modeling · 2025Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
8 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
More than 50 % of proteins bind to metal ions. Interactions between metal ions and proteins, especially coordinated interactions, are essential for biological functions, such as maintaining protein structure and signal transport. Physiological metal-ion binding prediction is pivotal for both elucidating the biological functions of proteins and for the design of new drugs. However, accurately predicting these interactions remains challenging. In this study, we proposed GPred, a novel structure-based method that transforms the 3-dimensional structure of a protein into a point cloud representation and then designs a geometry-aware graph neural network to learn the local structural properties of each amino acid residue under specific ligand-binding supervision. We trained our model to predict the location of coordinated binding sites for five essential metal ions: Zn
Indexed as
Identifiers
What OpenQuestion holds
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.