Evidence map›Paper›PMID 32444817›Full record

ArticleScientific reports2020

The Impact of Electron Correlation on Describing QM/MM Interactions in the Attendant Molecular Dynamics Simulations of CO in Myoglobin.

Xianwei Wang, Chenhui Lu, Maoyou Yang

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

Article in Scientific reports, 2020. 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
1.4field-weighted citation impact, top 15% 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, 7 citations in OpenAlex.

  1. Capturing Fast Gas Migration in Proteins.Molecules (Basel, Switzerland) · 2026
    Review
  2. 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

3 authors at 3 institutions in 1 country.

Xianwei WangCollege of Science, Zhejiang University of Technology, Hangzhou, Zhejiang, 310023, China. xwwang@zjut.edu.cn.ORCID http://orcid.org/0000-0003-4471-426X
Chenhui LuCollege of Mechanical Engineering, Shanghai University of Engineering Science, Shanghai, 201620, China.
Maoyou YangSchool of Electronic and information Engineering (Department of Physics), Qilu University of Technology (Shandong Academy of Sciences), Jinan, Shandong, 250353, China. ymy@qlu.edu.cn.ORCID http://orcid.org/0000-0002-7528-0508
Qilu University of Technology · CNShanghai University of Engineering Science · CNZhejiang University of Technology · CN

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The impact of the dispersion and electron correlation effects on describing quantum mechanics/molecular mechanics (QM/MM) interactions in QM/MM molecular dynamics (MD) simulations was explored by performing a series of up to 2 ns QM/MM MD simulations on the B states of the myoglobin-carbon monoxide (MbCO) system. The results indicate that both dispersion and electron correlations play significant roles in the simulation of the ratios of two B states (B

Indexed as

ElectronsMolecular Dynamics SimulationQuantum TheoryCarbon MonoxideHumansModels, MolecularMyoglobinCarbon MonoxideMyoglobin

Identifiers

PMID32444817
PMCPMC7244521
OpenAlexW3026115141

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.