Evidence map›Paper›PMID 31315296›Full record

ArticleInternational journal of molecular sciences2019

Free-Energy Calculations for Bioisosteric Modifications of A

Zuzana Jandova, Willem Jespers, Eddy Sotelo, Hugo Gutiérrez-de-Terán, Chris Oostenbrink

Abstract read
In one paragraph

Article in International journal of molecular sciences, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing 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

1 citing paper in PubMed.

  1. Alchemical Free Energy Calculations on Membrane-Associated Proteins.Journal of chemical theory and computation · 2023
    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

5 authors.

Zuzana JandovaInstitute of Molecular Modeling and Simulation, University of Natural Resources and Life Sciences, 1190 Vienna, Austria.ORCID 0000-0002-4890-344X
Willem JespersDepartment of Cell and Molecular Biology, Uppsala University, SE-75124 Uppsala, Sweden.ORCID 0000-0002-4951-9220
Eddy SoteloCentro Singular de Investigación en Química Biolóxica e Materiais Moleculares (CIQUS) and Departamento de Química Orgánica, Facultade de Farmacia, Universidade de Santiago de Compostela, 15782 Santiago de Compostela, Spain.ORCID 0000-0001-5571-2812
Hugo Gutiérrez-de-TeránDepartment of Cell and Molecular Biology, Uppsala University, SE-75124 Uppsala, Sweden.ORCID 0000-0003-0459-3491
Chris OostenbrinkInstitute of Molecular Modeling and Simulation, University of Natural Resources and Life Sciences, 1190 Vienna, Austria. chris.oostenbrink@boku.ac.at.ORCID 0000-0002-4232-2556

Funding

Austrian Science Fund W1224Austrian Science Fund FWF W 1224
6 · The paper itself

Abstract

Adenosine receptors are a family of G protein-coupled receptors with increased attention as drug targets on different indications. We investigate the thermodynamics of ligand binding to the A

Indexed as

Molecular Docking SimulationMolecular Dynamics SimulationAdenosine A3 Receptor AntagonistsBinding SitesProtein BindingReceptor, Adenosine A3Adenosine A3 Receptor AntagonistsReceptor, Adenosine A3Adenosine receptorfree energy calculationsGroningen Molecular Simulation packace (GROMOS)molecular dynamics simulations

Identifiers

PMID31315296
PMCPMC6679372

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.