Evidence map›Paper›PMID 28445749›Full record

ArticleBiophysical journal2017

Equilibrium Ensembles for Insulin Folding from Bias-Exchange Metadynamics.

Richa Singh, Rohit Bansal, Anurag Singh Rathore, Gaurav Goel

Open access · bronzeAbstract read
In one paragraph

Article in Biophysical journal, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.

0numbers the graph read from it
0cells of the map it votes in
7citing papers in PubMed
1.3field-weighted citation impact, top 20% of its field
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

7 citing papers in PubMed, 25 citations in OpenAlex.

  1. Article
  2. Illuminating the "Twilight Zone": Advances in Difficult Protein Modeling.Methods in molecular biology (Clifton, N.J.) · 2023
    Article
  3. Review
  4. 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

4 authors at 1 institution in 1 country.

Richa SinghDepartment of Chemical Engineering, Indian Institute of Technology Delhi, New Delhi, India.
Rohit BansalDepartment of Chemical Engineering, Indian Institute of Technology Delhi, New Delhi, India.
Anurag Singh RathoreDepartment of Chemical Engineering, Indian Institute of Technology Delhi, New Delhi, India.
Gaurav GoelDepartment of Chemical Engineering, Indian Institute of Technology Delhi, New Delhi, India. Electronic address: goelg@chemical.iitd.ac.in.
Indian Institute of Technology Delhi · IN

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Earliest events in the aggregation process, such as single molecule reconfiguration, are extremely important and the most difficult to characterize in experiments. To this end, we have used well-tempered bias exchange metadynamics simulations to determine the equilibrium ensembles of an insulin molecule under amyloidogenic conditions of low pH and high temperature. A bin-based clustering method that uses statistics accumulated in bias exchange metadynamics trajectories was employed to construct a detailed thermodynamic and kinetic model of insulin folding. The highest lifetime, lowest free-energy ensemble identified consisted of native conformations adopted by a folded insulin monomer in solution, namely, the R-, the R

Indexed as

AnimalsCluster AnalysisCrystallography, X-RayHydrogen BondingHydrogen-Ion ConcentrationHydrophobic and Hydrophilic InteractionsInsulinKineticsModels, ChemicalMolecular Dynamics SimulationNuclear Magnetic Resonance, BiomolecularPrincipal Component AnalysisProtein AggregatesProtein FoldingProtein Structure, SecondaryProtein Structure, TertiaryInsulinProtein Aggregates

Identifiers

PMID28445749
PMCPMC5406382
OpenAlexW2609818584

What OpenQuestion holds

Textmetadata
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.