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PLIP 2021: expanding the scope of the protein–ligand interaction profiler to DNA and RNA

Nucleic acids research, 2021-07, Vol.49 (W1), p.W530-W534 [Peer Reviewed Journal]

The Author(s) 2021. Published by Oxford University Press on behalf of Nucleic Acids Research. 2021 ;The Author(s) 2021. Published by Oxford University Press on behalf of Nucleic Acids Research. ;ISSN: 0305-1048 ;EISSN: 1362-4962 ;DOI: 10.1093/nar/gkab294 ;PMID: 33950214

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  • Title:
    PLIP 2021: expanding the scope of the protein–ligand interaction profiler to DNA and RNA
  • Author: Adasme, Melissa F ; Linnemann, Katja L ; Bolz, Sarah Naomi ; Kaiser, Florian ; Salentin, Sebastian ; Haupt, V Joachim ; Schroeder, Michael
  • Subjects: Web Server Issue
  • Is Part Of: Nucleic acids research, 2021-07, Vol.49 (W1), p.W530-W534
  • Description: Abstract With the growth of protein structure data, the analysis of molecular interactions between ligands and their target molecules is gaining importance. PLIP, the protein–ligand interaction profiler, detects and visualises these interactions and provides data in formats suitable for further processing. PLIP has proven very successful in applications ranging from the characterisation of docking experiments to the assessment of novel ligand–protein complexes. Besides ligand–protein interactions, interactions with DNA and RNA play a vital role in many applications, such as drugs targeting DNA or RNA-binding proteins. To date, over 7% of all 3D structures in the Protein Data Bank include DNA or RNA. Therefore, we extended PLIP to encompass these important molecules. We demonstrate the power of this extension with examples of a cancer drug binding to a DNA target, and an RNA–protein complex central to a neurological disease. PLIP is available online at https://plip-tool.biotec.tu-dresden.de and as open source code. So far, the engine has served over a million queries and the source code has been downloaded several thousand times. Graphical Abstract Graphical Abstract The Protein-Ligand Interaction Profiler. PLIP detects molecular interactions in 3D structures including DNA and RNA.
  • Publisher: England: Oxford University Press
  • Language: English
  • Identifier: ISSN: 0305-1048
    EISSN: 1362-4962
    DOI: 10.1093/nar/gkab294
    PMID: 33950214
  • Source: Geneva Foundation Free Medical Journals at publisher websites
    PubMed Central
    DOAJ Directory of Open Access Journals
    Oxford Open Access Journals
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