Evidence map›Paper›PMID 27934233›Full record

ArticleThe journal of physical chemistry. B2016

Modeling Membrane Protein-Ligand Binding Interactions: The Human Purinergic Platelet Receptor.

D'Artagnan Greene, Wesley M Botello-Smith, Alec Follmer, Li Xiao, Eleftherios Lambros, Ray Luo

Open access · greenAbstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in The journal of physical chemistry. B, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 21 papers.

0numbers the graph read from it
0cells of the map it votes in
21citing papers in PubMed
2.3field-weighted citation impact, top 12% 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

21 citing papers in PubMed, 38 citations in OpenAlex.

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  15. NFBTA: A Potent Cytotoxic Agent against Glioblastoma.Molecules (Basel, Switzerland) · 2019
    Article
  16. Article
  17. Article
  18. Article
  19. Article
  20. A Continuum Poisson-Boltzmann Model for Membrane Channel Proteins.Journal of chemical theory and computation · 2017
    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 at 1 institution in 1 country.

D'Artagnan GreeneDepartment of Molecular Biology and Biochemistry, ‡Chemical and Materials Physics Graduate Program, §Department of Chemistry, ∥Department of Biomedical Engineering, and ⊥Department of Chemical Engineering and Materials Science, University of California , Irvine, California 92697, United States.
Wesley M Botello-SmithDepartment of Molecular Biology and Biochemistry, ‡Chemical and Materials Physics Graduate Program, §Department of Chemistry, ∥Department of Biomedical Engineering, and ⊥Department of Chemical Engineering and Materials Science, University of California , Irvine, California 92697, United States.
Alec FollmerDepartment of Molecular Biology and Biochemistry, ‡Chemical and Materials Physics Graduate Program, §Department of Chemistry, ∥Department of Biomedical Engineering, and ⊥Department of Chemical Engineering and Materials Science, University of California , Irvine, California 92697, United States.
Li XiaoDepartment of Molecular Biology and Biochemistry, ‡Chemical and Materials Physics Graduate Program, §Department of Chemistry, ∥Department of Biomedical Engineering, and ⊥Department of Chemical Engineering and Materials Science, University of California , Irvine, California 92697, United States.
Eleftherios LambrosDepartment of Molecular Biology and Biochemistry, ‡Chemical and Materials Physics Graduate Program, §Department of Chemistry, ∥Department of Biomedical Engineering, and ⊥Department of Chemical Engineering and Materials Science, University of California , Irvine, California 92697, United States.
Ray LuoDepartment of Molecular Biology and Biochemistry, ‡Chemical and Materials Physics Graduate Program, §Department of Chemistry, ∥Department of Biomedical Engineering, and ⊥Department of Chemical Engineering and Materials Science, University of California , Irvine, California 92697, United States.
University of California, Irvine · US

Funding

AMBER force field consortium: a coherent biomolecular simulation platformR01GM079383 · NIGMS · UNIVERSITY OF CALIFORNIA AT DAVIS · PI CIEPLAK, PIOTR, DUAN, YONG · 2007 to 2017
$4.7M
AMBER/PBSA: An Open-Source Computer Program for Accurate and Scalable Solvation Analysis ofBiomoleculesR01GM093040 · NIGMS · UNIVERSITY OF CALIFORNIA-IRVINE · PI LUO, RAY · 2010 to 2018
$2.2M
NIGMS NIH HHS R01 GM079383NIGMS NIH HHS R01 GM093040
6 · The paper itself

Abstract

Membrane proteins, due to their roles as cell receptors and signaling mediators, make prime candidates for drug targets. The computational analysis of protein-ligand binding affinities has been widely employed as a tool in rational drug design efforts. Although efficient implicit solvent-based methods for modeling globular protein-ligand binding have been around for many years, the extension of such methods to membrane protein-ligand binding is still in its infancy. In this study, we extended the widely used Amber/MMPBSA method to model membrane protein-ligand systems, and we used it to analyze protein-ligand binding for the human purinergic platelet receptor (P2Y

Indexed as

Binding SitesBlood PlateletsHumansLigandsModels, MolecularPurinergic P2Y Receptor AgonistsReceptors, Purinergic P2Y12LigandsPurinergic P2Y Receptor AgonistsReceptors, Purinergic P2Y12

Identifiers

PMID27934233
PMCPMC5460638
OpenAlexW2555103584

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.