Evidence map›Paper›PMID 30909811›Full record

ArticleJournal of biomolecular structure & dynamics2020

Understanding the enzyme-ligand complex: insights from all-atom simulations of butyrylcholinesterase inhibition.

Walter Alvarado, Parker Ladd Bremer, Angela Choy, Helen N Dinh, Aingty Eung, Jeannette Gonzalez, Phillippe Ly, Trina Tran, Kensaku Nakayama, Jason P Schwans and 1 more

Open access · greenAbstract read
In one paragraph

Article in Journal of biomolecular structure & dynamics, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing papers in PubMed
1.2field-weighted citation impact, top 22% 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

3 citing papers in PubMed, 12 citations in OpenAlex.

  1. Review
  2. Article
  3. 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

11 authors at 1 institution in 1 country.

Walter AlvaradoDepartment of Physics & Astronomy, California State University Long Beach, Long Beach, CA, USA.
Parker Ladd BremerDepartment of Chemistry & Biochemistry, California State University Long Beach, Long Beach, CA, USA.
Angela ChoyDepartment of Chemical Engineering, California State University Long Beach, Long Beach, CA, USA.
Helen N DinhDepartment of Chemistry & Biochemistry, California State University Long Beach, Long Beach, CA, USA.
Aingty EungDepartment of Computer Engineering & Computer Science, California State University Long Beach, Long Beach, CA, USA.
Jeannette GonzalezDepartment of Biological Sciences, California State University Long Beach, Long Beach, CA, USA.
Phillippe LyDepartment of Chemistry & Biochemistry, California State University Long Beach, Long Beach, CA, USA.
Trina TranDepartment of Chemistry & Biochemistry, California State University Long Beach, Long Beach, CA, USA.
Kensaku NakayamaDepartment of Chemistry & Biochemistry, California State University Long Beach, Long Beach, CA, USA.
Jason P SchwansDepartment of Chemistry & Biochemistry, California State University Long Beach, Long Beach, CA, USA.
Eric J SorinDepartment of Chemistry & Biochemistry, California State University Long Beach, Long Beach, CA, USA.
California State University, Long Beach · US

Funding

Research Initiative for Scientific Enhancement at CSULBR25GM071638 · NIGMS · CALIFORNIA STATE UNIVERSITY LONG BEACH · PI BUONORA, PAUL T, FRASER, DEBORAH ANN · 2004 to 2022
$10.0M
Supplement for CSULB Maximizing Access to Research Careers (MARC) UNDERGRADUATE STUDENT TRAINING IN ACADEMIC RESEARCH (U-STAR)T34GM008074 · NIGMS · CALIFORNIA STATE UNIVERSITY LONG BEACH · PI NARAYANASWAMI, VASANTHY · 1985 to 2022
$4.6M
National Science Foundation CHE-1337559NIGMS NIH HHS R25 GM071638NIGMS NIH HHS T34 GM008074
6 · The paper itself

Abstract

All-atom molecular dynamics simulations of butyrylcholinesterase (BChE)

Indexed as

Molecular Docking SimulationMolecular Dynamics SimulationBinding SitesButyrylcholinesteraseCatalytic DomainCholinesterase InhibitorsHumansLigandsMolecular ConformationMolecular StructureProtein BindingStructure-Activity RelationshipButyrylcholinesteraseCholinesterase InhibitorsLigandscontact tabledockingomega loopOrganophosphatereversible inhibition

Identifiers

PMID30909811
PMCPMC6851450
OpenAlexW2922575546

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.