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Pyranose dehydrogenase ligand promiscuity: a generalized approach to simulate monosaccharide solvation, binding, and product formation.
Graf, Michael M H; Zhixiong, Lin; Bren, Urban; Haltrich, Dietmar; van Gunsteren, Wilfred F; Oostenbrink, Chris.
Afiliação
  • Graf MM; Food Biotechnology Laboratory, Department of Food Science and Technology, University of Natural Resources and Life Sciences (BOKU), Vienna, Austria.
  • Zhixiong L; Laboratory of Physical Chemistry, Swiss Federal Institute of Technology, ETH, Zürich, Switzerland.
  • Bren U; Institute of Molecular Modeling and Simulation, University of Natural Resources and Life Sciences (BOKU), Vienna, Austria; Laboratory for Molecular Modeling, National Institute of Chemistry, Ljubljana, Slovenia.
  • Haltrich D; Food Biotechnology Laboratory, Department of Food Science and Technology, University of Natural Resources and Life Sciences (BOKU), Vienna, Austria.
  • van Gunsteren WF; Laboratory of Physical Chemistry, Swiss Federal Institute of Technology, ETH, Zürich, Switzerland.
  • Oostenbrink C; Institute of Molecular Modeling and Simulation, University of Natural Resources and Life Sciences (BOKU), Vienna, Austria.
PLoS Comput Biol ; 10(12): e1003995, 2014 Dec.
Article em En | MEDLINE | ID: mdl-25500811
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Oxirredutases / Monossacarídeos Idioma: En Revista: PLoS Comput Biol Assunto da revista: BIOLOGIA / INFORMATICA MEDICA Ano de publicação: 2014 Tipo de documento: Article País de afiliação: Áustria
Texto completo
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XML
PubMed Links
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Oxirredutases / Monossacarídeos Idioma: En Revista: PLoS Comput Biol Assunto da revista: BIOLOGIA / INFORMATICA MEDICA Ano de publicação: 2014 Tipo de documento: Article País de afiliação: Áustria