Evidence map›Paper›PMID 36524712›Full record

ArticlePhysical chemistry chemical physics : PCCP2023

Recalibrating the calcium trap in amino acid carboxyl groups

Janou A Koskamp, Sergio E Ruiz Hernandez, Nora H de Leeuw, Mariette Wolthers

Open access · hybridAbstract read
In one paragraph

Article in Physical chemistry chemical physics : PCCP, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing papers in PubMed
0.3field-weighted citation impact, top 53% 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

2 citing papers in PubMed, 5 citations in OpenAlex.

  1. Article
  2. 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

4 authors at 2 institutions in 2 countries.

Janou A KoskampDepartment of Earth Sciences, Utrecht University, 3584 CB Utrecht, The Netherlands. j.a.koskamp@uu.nl.ORCID http://orcid.org/0000-0001-6482-8550
Sergio E Ruiz HernandezDepartment of Earth Sciences, Utrecht University, 3584 CB Utrecht, The Netherlands. j.a.koskamp@uu.nl.
Nora H de LeeuwDepartment of Earth Sciences, Utrecht University, 3584 CB Utrecht, The Netherlands. j.a.koskamp@uu.nl.ORCID http://orcid.org/0000-0002-8271-0545
Mariette WolthersDepartment of Earth Sciences, Utrecht University, 3584 CB Utrecht, The Netherlands. j.a.koskamp@uu.nl.ORCID http://orcid.org/0000-0003-3908-5622
Utrecht University · NLUniversity of Leeds · GB

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

In order to use classical molecular dynamics to complement experiments accurately, it is important to use robust descriptions of the system. The interactions between biomolecules, like aspartic and glutamic acid, and dissolved ions are often studied using standard biomolecular force-fields, where the interactions between biomolecules and cations are often not parameterized explicitly. In this study, we have employed metadynamics simulations to investigate different interactions of Ca with aspartic and glutamic acid and constructed the free energy profiles of Ca

Indexed as

Amino AcidsMolecular Dynamics SimulationCalciumCarboxylic AcidsCationsGlutamic AcidWaterAmino AcidsCalciumCarboxylic AcidsCationsGlutamic AcidWater

Identifiers

PMID36524712
PMCPMC9811642
OpenAlexW4311676699

What OpenQuestion holds

Textmetadata
LicenceCC BY
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.