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wSterimol: Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents

Brethomé, Alexandre; Fletcher, Stephen P.; Paton, Robert S.

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{
  "publisher": "Zenodo", 
  "DOI": "10.5281/zenodo.1434440", 
  "title": "wSterimol: Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents", 
  "issued": {
    "date-parts": [
      [
        2018, 
        9, 
        24
      ]
    ]
  }, 
  "abstract": "<p>First public release of wSterimol - a series of plugins to automate the calculation of Boltzmann-weighted multidimensional Sterimol parameters for conformationally-flexible substituents</p>", 
  "author": [
    {
      "family": "Brethom\u00e9, Alexandre"
    }, 
    {
      "family": "Fletcher, Stephen P."
    }, 
    {
      "family": "Paton, Robert S."
    }
  ], 
  "version": "v.1.0.3", 
  "type": "article", 
  "id": "1434440"
}
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Publication date:
September 24, 2018
DOI:
10.5281/zenodo.1434440

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Keyword(s):
sterimol steric parameters cheminformatics pymol plugin physical organic chemistry
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License (for files):
MIT License

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Version v.1.0.3 10.5281/zenodo.1434440 Sep 24, 2018
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