software . 2018

Wsterimol: Generate Boltzmann-Weighted Sterimol Steric Parameters For Conformationally-Flexible Substituents

Brethomé, Alexandre; Fletcher, Stephen P.; Paton, Robert S.;
Open Access
  • Published: 24 Sep 2018
  • Publisher: Zenodo
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>
Subjects
free text keywords: sterimol, steric parameters, cheminformatics, pymol plugin, physical organic chemistry, Biophysics, Biochemistry, Medicine, 60506 Virology, Computational Biology, 69999 Biological Sciences not elsewhere classified, 39999 Chemical Sciences not elsewhere classified
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Zenodo
Software . 2018
Provider: Datacite
Zenodo
Software . 2018
Provider: Datacite
Zenodo
Software . 2018
Provider: Zenodo
figshare
Software . 2018
Provider: figshare
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software . 2018

Wsterimol: Generate Boltzmann-Weighted Sterimol Steric Parameters For Conformationally-Flexible Substituents

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