Data on molecular docking simulations of quaternary complexes 'Bst exo- polymerase-DNA-dCTP-metal cations'

This article reports data related to the research article entitled “Effect of metal ions on isothermal amplification with Bst exo- DNA polymerase” (R.R. Garafutdinov, A.R. Gilvanov, O.Y. Kupova, A.R. Sakhabutdinova, 2020) [1]. Here, the results of molecular simulations of the complexes of Bst exo- D...

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Autores principales: Garafutdinov, Ravil R., Kupova, Olga Yu., Gilvanov, Aidar R., Sakhabutdinova, Assol R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2020
Materias:
Data Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7704292/
https://www.ncbi.nlm.nih.gov/pubmed/33299910
http://dx.doi.org/10.1016/j.dib.2020.106549
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author Garafutdinov, Ravil R.
Kupova, Olga Yu.
Gilvanov, Aidar R.
Sakhabutdinova, Assol R.
author_facet Garafutdinov, Ravil R.
Kupova, Olga Yu.
Gilvanov, Aidar R.
Sakhabutdinova, Assol R.
author_sort Garafutdinov, Ravil R.
collection PubMed
description This article reports data related to the research article entitled “Effect of metal ions on isothermal amplification with Bst exo- DNA polymerase” (R.R. Garafutdinov, A.R. Gilvanov, O.Y. Kupova, A.R. Sakhabutdinova, 2020) [1]. Here, the results of molecular simulations of the complexes of Bst exo- DNA polymerase with dCTP triphosphate, double-stranded DNA and divalent metal cations are presented. Energetic parameters, number and type of chemical bonds formed by dCTP with the environment are given.
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spelling pubmed-77042922020-12-08 Data on molecular docking simulations of quaternary complexes 'Bst exo- polymerase-DNA-dCTP-metal cations' Garafutdinov, Ravil R. Kupova, Olga Yu. Gilvanov, Aidar R. Sakhabutdinova, Assol R. Data Brief Data Article This article reports data related to the research article entitled “Effect of metal ions on isothermal amplification with Bst exo- DNA polymerase” (R.R. Garafutdinov, A.R. Gilvanov, O.Y. Kupova, A.R. Sakhabutdinova, 2020) [1]. Here, the results of molecular simulations of the complexes of Bst exo- DNA polymerase with dCTP triphosphate, double-stranded DNA and divalent metal cations are presented. Energetic parameters, number and type of chemical bonds formed by dCTP with the environment are given. Elsevier 2020-11-19 /pmc/articles/PMC7704292/ /pubmed/33299910 http://dx.doi.org/10.1016/j.dib.2020.106549 Text en © 2020 The Authors http://creativecommons.org/licenses/by/4.0/ This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Data Article
Garafutdinov, Ravil R.
Kupova, Olga Yu.
Gilvanov, Aidar R.
Sakhabutdinova, Assol R.
Data on molecular docking simulations of quaternary complexes 'Bst exo- polymerase-DNA-dCTP-metal cations'
title Data on molecular docking simulations of quaternary complexes 'Bst exo- polymerase-DNA-dCTP-metal cations'
title_full Data on molecular docking simulations of quaternary complexes 'Bst exo- polymerase-DNA-dCTP-metal cations'
title_fullStr Data on molecular docking simulations of quaternary complexes 'Bst exo- polymerase-DNA-dCTP-metal cations'
title_full_unstemmed Data on molecular docking simulations of quaternary complexes 'Bst exo- polymerase-DNA-dCTP-metal cations'
title_short Data on molecular docking simulations of quaternary complexes 'Bst exo- polymerase-DNA-dCTP-metal cations'
title_sort data on molecular docking simulations of quaternary complexes 'bst exo- polymerase-dna-dctp-metal cations'
topic Data Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7704292/
https://www.ncbi.nlm.nih.gov/pubmed/33299910
http://dx.doi.org/10.1016/j.dib.2020.106549
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