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Enantiomerization of Axially Chiral Biphenyls: Polarizable MD Simulations in Water and Butylmethylether.
Zeindlhofer, Veronika; Hudson, Phillip; Pálvölgyi, Ádám Márk; Welsch, Matthias; Almarashi, Mazin; Woodcock, H Lee; Brooks, Bernard; Bica-Schröder, Katharina; Schröder, Christian.
Afiliação
  • Zeindlhofer V; Department of Computational Biological Chemistry, University of Vienna, Währingerstraße 17, 1090 Vienna, Austria.
  • Hudson P; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute (NHLBI), National Institutes of Health (NIH), Bethesda, MD 20892, USA.
  • Pálvölgyi ÁM; Department of Chemistry, University of South Florida, Tampa, FL 33620, USA.
  • Welsch M; Institute of Applied Synthetic Chemistry, TU Wien, Getreidemarkt 9/163, 1060 Vienna, Austria.
  • Almarashi M; Department of Computational Biological Chemistry, University of Vienna, Währingerstraße 17, 1090 Vienna, Austria.
  • Woodcock HL; Department of Computational Biological Chemistry, University of Vienna, Währingerstraße 17, 1090 Vienna, Austria.
  • Brooks B; Department of Chemistry, University of South Florida, Tampa, FL 33620, USA.
  • Bica-Schröder K; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute (NHLBI), National Institutes of Health (NIH), Bethesda, MD 20892, USA.
  • Schröder C; Institute of Applied Synthetic Chemistry, TU Wien, Getreidemarkt 9/163, 1060 Vienna, Austria.
Int J Mol Sci ; 21(17)2020 Aug 28.
Article em En | MEDLINE | ID: mdl-32872113
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Compostos de Bifenilo / Água / Líquidos Iônicos Idioma: En Revista: Int J Mol Sci Ano de publicação: 2020 Tipo de documento: Article
Texto completo
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PubMed Links
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Compostos de Bifenilo / Água / Líquidos Iônicos Idioma: En Revista: Int J Mol Sci Ano de publicação: 2020 Tipo de documento: Article