Evidence map›Paper›PMID 28412768›Full record

ArticleJournal of molecular modeling2017

Assessing the dispersive and electrostatic components of the selenium-aromatic interaction energy by DFT.

Milan Senćanski, Ivana Djordjević, Sonja Grubišić

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In one paragraph

Article in Journal of molecular modeling, 2017. 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
0.2field-weighted citation impact, top 50% 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

1 citing paper in PubMed, 6 citations in OpenAlex.

  1. 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 1 institution in 1 country.

Milan SenćanskiCenter for Multidisciplinary Research and Engineering, Institute of Nucelar Sciences Vinča, University of Belgrade, Mihaila Petrovica Alasa 12-14, P.O.Box 522, Belgrade, 11001, Serbia. sencanski@vin.bg.ac.rs.
Ivana DjordjevićICTM, Center of Chemistry, University of Belgrade, Studentski trg 12-16, P.O. Box 51, Belgrade, 11158, Serbia.
Sonja GrubišićICTM, Center of Chemistry, University of Belgrade, Studentski trg 12-16, P.O. Box 51, Belgrade, 11158, Serbia.
University of Belgrade · RS

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Selenium has been increasingly recognized as an important element in biological systems, which participates in numerous biochemical processes in organisms, notably in enzyme reactions. Selenium can substitute sulfur of cysteine and methionine to form their selenium analogues, selenocysteine (Sec) and selenomethionine (SeM). The nature of amino acid pockets in proteins is dependent on their composition and thus different non-covalent forces determine the interactions between selenium of Sec or SeM and other functional groups, resulting in specific biophysical behavior. The discrimination of selenium toward sulfur has been reported. In order to elucidate the difference between the nature of S-π and Se-π interactions, we performed extensive DFT calculations of dispersive and electrostatic contributions of Se-π interactions in substituted benzenes/hydrogen selenide (H

Indexed as

DFT calculationsElectrostatic and dispersive interactions calculationsSe-aromatic interactionsTD-DFT calculations

Identifiers

PMID28412768
OpenAlexW2605732102

What OpenQuestion holds

Textmetadata
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.