Evidence map›Paper›PMID 33135048›Full record

ArticleBioinformatics (Oxford, England)2021

quicksom: Self-Organizing Maps on GPUs for clustering of molecular dynamics trajectories.

Vincent Mallet, Michael Nilges, Guillaume Bouvier

Abstract read
In one paragraph

Article in Bioinformatics (Oxford, England), 2021. 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. clusttraj: A Solvent-Informed Clustering Tool for Molecular Modeling.Journal of chemical theory and computation · 2025
    Article
  2. Article
  3. Review
  4. Article
  5. 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

3 authors.

Vincent MalletStructural Bioinformatics Unit, Department of Structural Biology and Chemistry, Institut Pasteur, CNRS UMR3528, C3BI, USR3756, Paris 75015, France.ORCID 0000-0003-4664-754X
Michael NilgesStructural Bioinformatics Unit, Department of Structural Biology and Chemistry, Institut Pasteur, CNRS UMR3528, C3BI, USR3756, Paris 75015, France.
Guillaume BouvierStructural Bioinformatics Unit, Department of Structural Biology and Chemistry, Institut Pasteur, CNRS UMR3528, C3BI, USR3756, Paris 75015, France.ORCID 0000-0003-2792-6084

Funding

Cancer Research InstituteEcole Doctorale FIRE - Programme BettencourtINCEPTION PIA/ANR-16-CONV-0005
6 · The paper itself

Abstract

summaryWe implemented the Self-Organizing Maps algorithm running efficiently on GPUs, and also provide several clustering methods of the resulting maps. We provide scripts and a use case to cluster macro-molecular conformations generated by molecular dynamics simulations. AVAILABILITY AND IMPLEMENTATION: The method is available on GitHub and distributed as a pip package.

Indexed as

AlgorithmsMolecular Dynamics SimulationCluster Analysis

Identifiers

PMID33135048
PMCPMC8336998

What OpenQuestion holds

Textmetadata
LicenceCC BY-NC
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.