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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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{
  "description": "<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>", 
  "license": "https://opensource.org/licenses/MIT", 
  "creator": [
    {
      "affiliation": "University of Oxford", 
      "@type": "Person", 
      "name": "Brethom\u00e9, Alexandre"
    }, 
    {
      "affiliation": "University of Oxford", 
      "@type": "Person", 
      "name": "Fletcher, Stephen P."
    }, 
    {
      "affiliation": "Colorado State University", 
      "@id": "https://orcid.org/0000-0002-0104-4166", 
      "@type": "Person", 
      "name": "Paton, Robert S."
    }
  ], 
  "url": "https://zenodo.org/record/1434440", 
  "codeRepository": "https://github.com/bobbypaton/wSterimol/tree/v.1.0.3", 
  "datePublished": "2018-09-24", 
  "version": "v.1.0.3", 
  "keywords": [
    "sterimol", 
    "steric parameters", 
    "cheminformatics", 
    "pymol plugin", 
    "physical organic chemistry"
  ], 
  "@context": "https://schema.org/", 
  "identifier": "https://doi.org/10.5281/zenodo.1434440", 
  "@id": "https://doi.org/10.5281/zenodo.1434440", 
  "@type": "SoftwareSourceCode", 
  "name": "wSterimol: Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents"
}
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