Evidence map›Paper›PMID 40377089›Full record

ArticleNucleic acids research2025

LIGYSIS-web: a resource for the analysis of protein-ligand binding sites.

Javier S Utgés, Stuart A MacGowan, Geoffrey J Barton

Abstract read
In one paragraph

Article in Nucleic acids research, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.

0numbers the graph read from it
0cells of the map it votes in
5citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

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.

2 · The registry

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.

3 · Its place in the literature

Who cites it

5 citing papers in PubMed.

  1. Article
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4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

3 authors.

Javier S UtgésDivision of Computational Biology, School of Life Sciences, University of Dundee, Dow Street, Dundee DD1 5EH Scotland, UK.ORCID 0000-0002-1078-1440
Stuart A MacGowanDivision of Computational Biology, School of Life Sciences, University of Dundee, Dow Street, Dundee DD1 5EH Scotland, UK.ORCID 0000-0003-4233-5071
Geoffrey J BartonDivision of Computational Biology, School of Life Sciences, University of Dundee, Dow Street, Dundee DD1 5EH Scotland, UK.ORCID 0000-0002-9014-5355

Funding

BBSRC BB/J01446X/1UKRI-Biotechnology and Biological Sciences BB/J019364/1UKRI-Biotechnology and Biological Sciences BB/R014752/1Wellcome TrustWellcome Trust 101651/Z/13/ZWellcome Trust 218259/Z/19/Z
6 · The paper itself

Abstract

LIGYSIS-web is a free website accessible to all users without any login requirement for the analysis of protein-ligand binding sites. LIGYSIS-web hosts a database of 65,000 protein-ligand binding sites across 25,000 proteins. LIGYSIS sites are defined by aggregating unique relevant protein-ligand interfaces across different biological assemblies of the same protein deposited on the PDBe. Additionally, users can upload their own structures in PDB or mmCIF format for analysis and subsequent visualisation and download. Ligand sites are characterised using evolutionary divergence from a multiple sequence alignment, human missense genetic variation from gnomAD and relative solvent accessibility to obtain accessibility-based cluster labels and scores indicating likelihood of function. These results are displayed in the LIGYSIS web server, a Python Flask web application with a JavaScript frontend employing Jinja and jQuery to link the 3Dmol.js structure viewer with dynamic tables and Chart.js graphs in an interactive manner. LIGYSIS-web is available at https://www.compbio.dundee.ac.uk/ligysis/, whilst the source code for the analysis pipelines and web application can be accessed at https://github.com/bartongroup/LIGYSIS, https://github.com/bartongroup/LIGYSIS-custom and https://github.com/bartongroup/LIGYSIS-web, respectively.

Indexed as

Databases, ProteinProteinsSoftwareBinding SitesHumansInternetLigandsProtein BindingLigandsProteins

Identifiers

PMID40377089
PMCPMC12230740

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

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.