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Predicting 19 F NMR Chemical Shifts: A Combined Computational and Experimental Study of a Trypanosomal Oxidoreductase-Inhibitor Complex.
Dietschreit, Johannes C B; Wagner, Annika; Le, T Anh; Klein, Philipp; Schindelin, Hermann; Opatz, Till; Engels, Bernd; Hellmich, Ute A; Ochsenfeld, Christian.
Afiliação
  • Dietschreit JCB; Theoretical Chemistry, Department of Chemistry, University of Munich (LMU), Butenandtstr. 7, 81377, Munich, Germany.
  • Wagner A; Dept. Chemistry, Section Biochemistry, Johannes Gutenberg-Universität Mainz, 55128, Mainz, Germany.
  • Le TA; Centre for Biomolecular Magnetic Resonance (BMRZ), Goethe-University Frankfurt, Max-von-Laue Str. 9, 60438, Frankfurt, Germany.
  • Klein P; Institute for Physical and Theoretical Chemistry, University of Würzburg, Emil-Fischer-Straße 42, 97074, Würzburg, Germany.
  • Schindelin H; Dept. Chemistry, Section Organic Chemistry, Johannes Gutenberg-Universität Mainz, 55128, Mainz, Germany.
  • Opatz T; Institute of Structural Biology, Rudolf Virchow Center for Experimental Biomedicine, University of Würzburg, 97080, Würzburg, Germany.
  • Engels B; Dept. Chemistry, Section Organic Chemistry, Johannes Gutenberg-Universität Mainz, 55128, Mainz, Germany.
  • Hellmich UA; Institute for Physical and Theoretical Chemistry, University of Würzburg, Emil-Fischer-Straße 42, 97074, Würzburg, Germany.
  • Ochsenfeld C; Dept. Chemistry, Section Biochemistry, Johannes Gutenberg-Universität Mainz, 55128, Mainz, Germany.
Angew Chem Int Ed Engl ; 59(31): 12669-12673, 2020 07 27.
Article em En | MEDLINE | ID: mdl-32239740
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Pirimidinonas / Tiofenos / Tiorredoxinas / Tripanossomicidas / Ressonância Magnética Nuclear Biomolecular / Inibidores Enzimáticos Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Revista: Angew Chem Int Ed Engl Ano de publicação: 2020 Tipo de documento: Article País de afiliação: Alemanha
Texto completo
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Pirimidinonas / Tiofenos / Tiorredoxinas / Tripanossomicidas / Ressonância Magnética Nuclear Biomolecular / Inibidores Enzimáticos Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Revista: Angew Chem Int Ed Engl Ano de publicação: 2020 Tipo de documento: Article País de afiliação: Alemanha