Evidence map›Paper›PMID 21574558›Full record

ArticleThe journal of physical chemistry. B2011

Gramicidin A backbone and side chain dynamics evaluated by molecular dynamics simulations and nuclear magnetic resonance experiments. II: nuclear magnetic resonance experiments.

Vitaly V Vostrikov, Hong Gu, Helgi I Ingólfsson, James F Hinton, Olaf S Andersen, Benoît Roux, Roger E Koeppe

Abstract read
In one paragraph

Article in The journal of physical chemistry. B, 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.

0numbers the graph read from it
0cells of the map it votes in
4citing 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

4 citing papers in PubMed.

  1. Article
  2. Article
  3. Article
  4. 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

7 authors.

Vitaly V VostrikovDepartment of Chemistry and Biochemistry, University of Arkansas, Fayetteville, Arkansas 72701, United States.
Hong Gu
Helgi I Ingólfsson
James F Hinton
Olaf S Andersen
Benoît Roux
Roger E Koeppe

Funding

YEAST ER MOLECULAR CHAPERONE TRANSLOCATION: GENOME DATABANK HOMOLOGSP41RR006009 · NCRR · MELLON PITTS CORPORATION (MPC CORP) · PI KNOLL, ERIC · 1990 to 2011
$22.0M
Structure based drug discoveryP20RR015569 · NCRR · UNIVERSITY OF ARKANSAS AT FAYETTEVILLE · PI MILLETT, FRANCIS S · 2000 to 2009
$21.4M
RESEARCH PILOT PROJECT PROGRAMP30RR031154 · NCRR · UNIVERSITY OF ARKANSAS AT FAYETTEVILLE · PI KOEPPE, ROGER E · 2010 to 2011
$2.2M
Putting Molecular Dynamics to the Test: Ion PermeationR01GM070971 · NIGMS · WEILL MEDICAL COLL OF CORNELL UNIV · PI ANDERSEN, OLAF S. · 2005 to 2008
$1.6M
NCRR NIH HHS P20 RR015569NCRR NIH HHS P30 RR031154NCRR NIH HHS P41 RR006009NCRR NIH HHS RR15569NCRR NIH HHS RR31154NIGMS NIH HHS GM070971NIGMS NIH HHS R01 GM070971
6 · The paper itself

Abstract

Motional properties are important for understanding protein function and are accessible to NMR relaxation measurements. The goal of this study is to investigate the internal dynamics occurring in gramicidin A (gA) channels in order to provide benchmark experimental data for comparison with the results of molecular dynamics simulations. We therefore synthesized several (15)N isotope-enriched gA samples, covering all backbone residues as well as the Trp indole side chains for NMR relaxation experiments. On the basis of the (15)N NMR spectra for labeled gA samples incorporated in sodium dodecylsulfate (SDS) micelles, we determined T(1), T(2), and heteronuclear NOE values for backbone and indole (15)NH groups. The results indicate that the SDS-incorporated gA channel is a constrained structure without an especially "floppy" region. The NMR observables, particularly those for backbone groups, are predicted well by the molecular dynamics simulations in the accompanying article (DOI 10.1021/jp200904d ).

Indexed as

Molecular Dynamics SimulationAmino Acid SequenceDimerizationGramicidinIndolesMicellesNuclear Magnetic Resonance, BiomolecularSodium Dodecyl SulfateGramicidinindoleIndolesMicellesSodium Dodecyl Sulfate

Identifiers

PMID21574558
PMCPMC3114435

What OpenQuestion holds

Textmetadata
LicenceTDM
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.