Evidence map›Paper›PMID 30332415›Full record

ArticlePloS one2018

Multi-criteria protein structure comparison and structural similarities analysis using pyMCPSC.

Anuj Sharma, Elias S Manolakos

Abstract read
In one paragraph

Article in PloS one, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers, 1 of them a synthesis that pooled it.

0numbers the graph read from it
0cells of the map it votes in
4citing papers in PubMed, 1 pooled it
–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

4 citing papers in PubMed, 1 synthesis or guideline pooled it.

  1. Pooled it
  2. Article
  3. Article
  4. Review
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

2 authors.

Anuj SharmaDepartment of Informatics and Telecommunications, National and Kapodistrian University of Athens, Athens, Greece.
Elias S ManolakosDepartment of Informatics and Telecommunications, National and Kapodistrian University of Athens, Athens, Greece.ORCID 0000-0001-6376-0419

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Protein Structure Comparison (PSC) is a well developed field of computational proteomics with active interest from the research community, since it is widely used in structural biology and drug discovery. With new PSC methods continuously emerging and no clear method of choice, Multi-Criteria Protein Structure Comparison (MCPSC) is commonly employed to combine methods and generate consensus structural similarity scores. We present pyMCPSC, a Python based utility we developed to allow users to perform MCPSC efficiently, by exploiting the parallelism afforded by the multi-core CPUs of today's desktop computers. We show how pyMCPSC facilitates the analysis of similarities in protein domain datasets and how it can be extended to incorporate new PSC methods as they are becoming available. We exemplify the power of pyMCPSC using a case study based on the Proteus_300 dataset. Results generated using pyMCPSC show that MCPSC scores form a reliable basis for identifying the true classification of a domain, as evidenced both by the ROC analysis as well as the Nearest-Neighbor analysis. Structure similarity based "Phylogenetic Trees" representation generated by pyMCPSC provide insight into functional grouping within the dataset of domains. Furthermore, scatter plots generated by pyMCPSC show the existence of strong correlation between protein domains belonging to SCOP Class C and loose correlation between those of SCOP Class D. Such analyses and corresponding visualizations help users quickly gain insights about their datasets. The source code of pyMCPSC is available under the GPLv3.0 license through a GitHub repository (https://github.com/xulesc/pymcpsc).

Indexed as

Protein ConformationSoftwareDatabases, ProteinData VisualizationPhylogenyProtein DomainsProteomicsROC Curve

Identifiers

PMID30332415
PMCPMC6192565

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Registered trials

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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.