Evidence map›Paper›PMID 33775636›Full record

ArticleBiophysical journal2021

Energetics and structure of alanine-rich α-helices via adaptive steered molecular dynamics.

Yi Zhuang, Hailey R Bureau, Christine Lopez, Ryan Bucher, Stephen Quirk, Rigoberto Hernandez

Abstract read
In one paragraph

Article in Biophysical journal, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.

0numbers the graph read from it
0cells of the map it votes in
9citing 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

9 citing papers in PubMed.

  1. Article
  2. Article
  3. Backbone Hydration ofMolecular physics · 2024
    Article
  4. Article
  5. Article
  6. Article
  7. Benchmarking Adaptive Steered Molecular Dynamics (ASMD) on CHARMM Force Fields.Chemphyschem : a European journal of chemical physics and physical chemistry · 2022
    Article
  8. Implementation of Telescoping Boxes in Adaptive Steered Molecular Dynamics.Journal of chemical theory and computation · 2022
    Article
  9. Article
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

6 authors.

Yi ZhuangDepartment of Chemistry, Johns Hopkins University, Baltimore, Maryland.
Hailey R BureauDepartment of Chemistry, Johns Hopkins University, Baltimore, Maryland.
Christine LopezDepartment of Chemistry, Johns Hopkins University, Baltimore, Maryland.
Ryan BucherDepartment of Chemistry, Johns Hopkins University, Baltimore, Maryland.
Stephen QuirkKimberly-Clark Corporation, Atlanta, Georgia.
Rigoberto HernandezDepartment of Chemistry, Johns Hopkins University, Baltimore, Maryland; Departments of Chemical and Biomolecular Engineering, and Materials Science and Engineering, Johns Hopkins University, Baltimore, Maryland. Electronic address: r.hernandez@jhu.edu.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The energetics and hydrogen bonding profiles of the helix-to-coil transition were found to be an additive property and to increase linearly with chain length, respectively, in alanine-rich α-helical peptides. A model system of polyalanine repeats was used to establish this hypothesis for the energetic trends and hydrogen bonding profiles. Numerical measurements of a synthesized polypeptide Ac-Y(AEAAKA)

Indexed as

AlanineMolecular Dynamics SimulationHydrogen BondingProtein Conformation, alpha-HelicalAlanine

Identifiers

PMID33775636
PMCPMC8204395

What Socratic holds

Textmetadata
LicenceCC BY-NC-ND
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 Socratic graph.