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Determination of Absolute Stereochemistry of Flexible Molecules Using a Vibrational Circular Dichroism Spectra Alignment Algorithm.
Böselt, Lennard; Sidler, Dominik; Kittelmann, Tobias; Stohner, Jürgen; Zindel, Daniel; Wagner, Trixie; Riniker, Sereina.
Afiliação
  • Böselt L; Laboratory of Physical Chemistry , ETH Zürich , Vladimir-Prelog-Weg 2 , 8093 Zürich , Switzerland.
  • Sidler D; Laboratory of Physical Chemistry , ETH Zürich , Vladimir-Prelog-Weg 2 , 8093 Zürich , Switzerland.
  • Kittelmann T; Institute of Chemistry and Biotechnology , Zurich University of Applied Sciences , Einsiedlerstrasse 31 , 8820 Wädenswil , Switzerland.
  • Stohner J; Institute of Chemistry and Biotechnology , Zurich University of Applied Sciences , Einsiedlerstrasse 31 , 8820 Wädenswil , Switzerland.
  • Zindel D; Laboratory of Physical Chemistry , ETH Zürich , Vladimir-Prelog-Weg 2 , 8093 Zürich , Switzerland.
  • Wagner T; Novartis Institutes for BioMedical Research , Novartis Pharma AG , Novartis Campus, 4056 Basel , Switzerland.
  • Riniker S; Laboratory of Physical Chemistry , ETH Zürich , Vladimir-Prelog-Weg 2 , 8093 Zürich , Switzerland.
J Chem Inf Model ; 59(5): 1826-1838, 2019 05 28.
Article em En | MEDLINE | ID: mdl-30916954
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Dicroísmo Circular Idioma: En Ano de publicação: 2019 Tipo de documento: Article
Texto completo
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PubMed Links
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Dicroísmo Circular Idioma: En Ano de publicação: 2019 Tipo de documento: Article