Evidence map›Paper›PMID 39194135›Full record

ReviewProtein science : a publication of the Protein Society2024

Exploring protein functions from structural flexibility using CABS-flex modeling.

Chandran Nithin, Rocco Peter Fornari, Smita P Pilla, Karol Wroblewski, Mateusz Zalewski, Rafał Madaj, Andrzej Kolinski, Joanna M Macnar, Sebastian Kmiecik

Abstract readReview
In one paragraph

Review in Protein science : a publication of the Protein Society, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.

0numbers the graph read from it
0cells of the map it votes in
11citing 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

11 citing papers in PubMed.

  1. Article
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  10. Review
  11. Exploring protein functions from structural flexibility using CABS-flex modeling.Protein science : a publication of the Protein Society · 2024
    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

9 authors.

Chandran NithinBiological and Chemical Research Centre, Faculty of Chemistry, University of Warsaw, Warsaw, Poland.ORCID 0000-0001-8212-6093
Rocco Peter FornariBiological and Chemical Research Centre, Faculty of Chemistry, University of Warsaw, Warsaw, Poland.ORCID 0000-0002-3792-8262
Smita P PillaBiological and Chemical Research Centre, Faculty of Chemistry, University of Warsaw, Warsaw, Poland.ORCID 0000-0002-4520-3210
Karol WroblewskiBiological and Chemical Research Centre, Faculty of Chemistry, University of Warsaw, Warsaw, Poland.ORCID 0000-0001-5182-1376
Mateusz ZalewskiBiological and Chemical Research Centre, Faculty of Chemistry, University of Warsaw, Warsaw, Poland.ORCID 0000-0002-3436-8829
Rafał MadajInstitute of Evolutionary Biology, Biological and Chemical Research Centre, Faculty of Biology, University of Warsaw, Warsaw, Poland.ORCID 0000-0002-6330-6344
Andrzej KolinskiBiological and Chemical Research Centre, Faculty of Chemistry, University of Warsaw, Warsaw, Poland.ORCID 0000-0002-8830-2315
Joanna M MacnarBiological and Chemical Research Centre, Faculty of Chemistry, University of Warsaw, Warsaw, Poland.ORCID 0000-0003-1760-2668
Sebastian KmiecikBiological and Chemical Research Centre, Faculty of Chemistry, University of Warsaw, Warsaw, Poland.ORCID 0000-0001-7623-0935

Funding

National Science Centre, Poland 2021/40/Q/NZ2/00078National Science Centre, Poland OPUS 2020/39/B/NZ2/01301PLGrid PLG/2024/016931
6 · The paper itself

Abstract

Understanding protein function often necessitates characterizing the flexibility of protein structures. However, simulating protein flexibility poses significant challenges due to the complex dynamics of protein systems, requiring extensive computational resources and accurate modeling techniques. In response to these challenges, the CABS-flex method has been developed as an efficient modeling tool that combines coarse-grained simulations with all-atom detail. Available both as a web server and a standalone package, CABS-flex is dedicated to a wide range of users. The web server version offers an accessible interface for straightforward tasks, while the standalone command-line program is designed for advanced users, providing additional features, analytical tools, and support for handling large systems. This paper examines the application of CABS-flex across various structure-function studies, facilitating investigations into the interplay among protein structure, dynamics, and function in diverse research fields. We present an overview of the current status of the CABS-flex methodology, highlighting its recent advancements, practical applications, and forthcoming challenges.

Indexed as

Models, MolecularProtein ConformationProteinsSoftwareMolecular Dynamics SimulationProteinscoarse‐grained modelintegrative modelingmolecular modelingMonte Carlo simulationmultiscale simulationprotein aggregationprotein flexibility

Identifiers

PMID39194135
PMCPMC11350595

What OpenQuestion holds

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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.