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Mendeley readers
Attention Score in Context
| Title |
QM Cluster or QM/MM in Computational Enzymology: The Test Case of LigW-Decarboxylase
|
|---|---|
| Published in |
Frontiers in Chemistry, June 2018
|
| DOI | 10.3389/fchem.2018.00249 |
| Pubmed ID | |
| Authors |
Mario Prejanò, Tiziana Marino, Nino Russo |
| Abstract |
The catalytic mechanism of the decarboxylation of 5-carboxyvanillate by LigW producing vanillic acid has been studied by using QM cluster and hybrid QM/MM methodologies. In the QM cluster model, the environment of a small QM model is treated with a bulky potential while two QM/MM models studies include partial and full protein with and without explicitly treated water solvent. The studied reaction involves two sequential steps: the protonation of the carbon of the 5-carboxy-vanillate substrate and the decarboxylation of the intermediate from which results deprotonated vanillic acid as product. The structures and energetics obtained by using three structural models and two density functionals are quite consistent to each other. This indicates that the small QM cluster model of the presently considered enzymatic reaction is appropriate enough and the reaction is mainly influenced by the active site. |
X Demographics
The data shown below were collected from the profiles of 3 X users who shared this research output. Click here to find out more about how the information was compiled.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Switzerland | 1 | 33% |
| China | 1 | 33% |
| Unknown | 1 | 33% |
Demographic breakdown
| Type | Count | As % |
|---|---|---|
| Scientists | 2 | 67% |
| Members of the public | 1 | 33% |
Mendeley readers
The data shown below were compiled from readership statistics for 40 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Unknown | 40 | 100% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Student > Ph. D. Student | 11 | 28% |
| Researcher | 8 | 20% |
| Student > Doctoral Student | 2 | 5% |
| Student > Bachelor | 2 | 5% |
| Student > Postgraduate | 2 | 5% |
| Other | 3 | 8% |
| Unknown | 12 | 30% |
| Readers by discipline | Count | As % |
|---|---|---|
| Chemistry | 10 | 25% |
| Biochemistry, Genetics and Molecular Biology | 5 | 13% |
| Agricultural and Biological Sciences | 3 | 8% |
| Chemical Engineering | 2 | 5% |
| Pharmacology, Toxicology and Pharmaceutical Science | 1 | 3% |
| Other | 4 | 10% |
| Unknown | 15 | 38% |
Attention Score in Context
This research output has an Altmetric Attention Score of 2. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 28 June 2018.
All research outputs
#13,620,235
of 23,092,602 outputs
Outputs from Frontiers in Chemistry
#888
of 6,038 outputs
Outputs of similar age
#170,553
of 329,253 outputs
Outputs of similar age from Frontiers in Chemistry
#34
of 168 outputs
Altmetric has tracked 23,092,602 research outputs across all sources so far. This one is in the 39th percentile – i.e., 39% of other outputs scored the same or lower than it.
So far Altmetric has tracked 6,038 research outputs from this source. They receive a mean Attention Score of 2.1. This one has done well, scoring higher than 84% of its peers.
Older research outputs will score higher simply because they've had more time to accumulate mentions. To account for age we can compare this Altmetric Attention Score to the 329,253 tracked outputs that were published within six weeks on either side of this one in any source. This one is in the 46th percentile – i.e., 46% of its contemporaries scored the same or lower than it.
We're also able to compare this research output to 168 others from the same source and published within six weeks on either side of this one. This one has done well, scoring higher than 79% of its contemporaries.