Evidence map›Paper›PMID 27682345›Full record

ArticleJournal of chemical theory and computation2016

Improving the Force Field Description of Tyrosine-Choline Cation-π Interactions: QM Investigation of Phenol-N(Me)

Hanif M Khan, Cédric Grauffel, Ria Broer, Alexander D MacKerell, Remco W A Havenith, Nathalie Reuter

Abstract read
In one paragraph

Article in Journal of chemical theory and computation, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.

0numbers the graph read from it
0cells of the map it votes in
17citing 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

17 citing papers in PubMed.

  1. Article
  2. Review
  3. Article
  4. Article
  5. Article
  6. Article
  7. Article
  8. Article
  9. Article
  10. Explicit Representation of Cation-π Interactions in Force Fields with 1/Journal of chemical theory and computation · 2020
    Article
  11. Article
  12. Article
  13. Article
  14. 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

6 authors.

Hanif M KhanDepartment of Molecular Biology, University of Bergen , N-5020 Bergen, Norway.
Cédric GrauffelInstitute of Biomedical Sciences, Academia Sinica , Taipei 11529, Taiwan.
Ria Broer
Alexander D MacKerellDepartment of Pharmaceutical Sciences, University of Maryland School of Pharmacy , Baltimore, Maryland 21201, United States.
Remco W A HavenithGhent Quantum Chemistry Group, Department of Inorganic and Physical Chemistry, Ghent University , 9000 Ghent, Belgium.
Nathalie ReuterDepartment of Molecular Biology, University of Bergen , N-5020 Bergen, Norway.

Funding

Polarizable Force Field for Proteins and LipidsR01GM072558 · NIGMS · WEILL MEDICAL COLLEGE OF CORNELL UNIV · PI ROUX, BENOIT · 2005 to 2023
$5.1M
Carbohydrate force fields for structure, dynamics and molecular recognitionR01GM070855 · NIGMS · UNIVERSITY OF MARYLAND BALTIMORE · PI MACKERELL, ALEXANDER D · 2005 to 2018
$3.5M
NIGMS NIH HHS R01 GM070855NIGMS NIH HHS R01 GM072558
6 · The paper itself

Abstract

Cation-π interactions between tyrosine amino acids and compounds containing N,N,N-trimethylethanolammonium (N(CH

Indexed as

Quantum TheoryCationsCholineLipid BilayersMolecular Dynamics SimulationPhenolsQuaternary Ammonium CompoundsSolventsThermodynamicsTyrosineCationsCholineLipid BilayersPhenolsQuaternary Ammonium CompoundsSolventstrimethylethylammoniumTyrosine

Identifiers

PMID27682345
PMCPMC5148683

What OpenQuestion holds

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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.