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Correction to: Optimized SQE atomic charges for peptides accessible via a web application

Journal of Cheminformatics volume 13, Article number: 52 (2021) Cite this article

The Original Article was published on 30 June 2021

Correction to: J Cheminform (2021) 13:45 https://doi.org/10.1186/s13321-021-00528-w

It was highlighted that in the original article [1] the heading of Table 2 was misaligned. This Correction article shows the correct Table 2. The original article has been updated.

Table 2 Comparison of GDMIN and optGM parameterization of SQE with HBO atomic types
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References

  1. Schindler O, Raček T, Maršavelski A, Koča J, Berka K, Svobodová R. Optimized SQE atomic charges for peptides accessible via a web application. J Cheminform (2021) 13:45. https://doi.org/10.1186/s13321-021-00528-w

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Author notes

  1. Ondřej Schindler and Tomáš Raček shared first authorship

Authors and Affiliations

  1. CEITEC-Central European Institute of Technology, Masaryk University, Kamenice 5, 602 00, Brno, Czech Republic

    Ondřej Schindler, Tomáš Raček, Jaroslav Koča & Radka Svobodová

  2. National Centre for Biomolecular Research, Faculty of Science, Masaryk University, Kamenice 5, 625 00, Brno, Czech Republic

    Ondřej Schindler, Tomáš Raček, Jaroslav Koča & Radka Svobodová

  3. Faculty of Informatics, Masaryk University, Botanická 68a, 602 00, Brno, Czech Republic

    Tomáš Raček

  4. Division of Biochemistry, Department of Chemistry, Faculty of Science, University of Zagreb, Horvatovac 102a, 10000, Zagreb, Croatia

    Aleksandra Maršavelski

  5. Department of Physical Chemistry, Faculty of Science, Palacký University Olomouc, 17, listopadu 1192/12, 771 46, Olomouc, Czech Republic

    Karel Berka

Authors
  1. Ondřej Schindler
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  2. Tomáš Raček
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  3. Aleksandra Maršavelski
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  4. Jaroslav Koča
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  5. Karel Berka
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  6. Radka Svobodová
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Corresponding author

Correspondence to Radka Svobodová.

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Schindler, O., Raček, T., Maršavelski, A. et al. Correction to: Optimized SQE atomic charges for peptides accessible via a web application. J Cheminform 13, 52 (2021). https://doi.org/10.1186/s13321-021-00531-1

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  • DOI: https://doi.org/10.1186/s13321-021-00531-1

Journal of Cheminformatics

ISSN: 1758-2946

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