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Rationalization of the Membrane Permeability Differences in a Series of Analogue Cyclic Decapeptides.
Witek, Jagna; Wang, Shuzhe; Schroeder, Benjamin; Lingwood, Robin; Dounas, Andreas; Roth, Hans-Jörg; Fouché, Marianne; Blatter, Markus; Lemke, Oliver; Keller, Bettina; Riniker, Sereina.
Affiliation
  • Witek J; Laboratory of Physical Chemistry , ETH Zürich , Vladimir-Prelog-Weg 2 , 8093 Zürich , Switzerland.
  • Wang S; Laboratory of Physical Chemistry , ETH Zürich , Vladimir-Prelog-Weg 2 , 8093 Zürich , Switzerland.
  • Schroeder B; Laboratory of Physical Chemistry , ETH Zürich , Vladimir-Prelog-Weg 2 , 8093 Zürich , Switzerland.
  • Lingwood R; Laboratory of Physical Chemistry , ETH Zürich , Vladimir-Prelog-Weg 2 , 8093 Zürich , Switzerland.
  • Dounas A; Laboratory of Physical Chemistry , ETH Zürich , Vladimir-Prelog-Weg 2 , 8093 Zürich , Switzerland.
  • Roth HJ; Novartis Institutes for BioMedical Research , Novartis Pharma AG, Novartis Campus , 4056 Basel , Switzerland.
  • Fouché M; Novartis Institutes for BioMedical Research , Novartis Pharma AG, Novartis Campus , 4056 Basel , Switzerland.
  • Blatter M; Novartis Institutes for BioMedical Research , Novartis Pharma AG, Novartis Campus , 4056 Basel , Switzerland.
  • Lemke O; Department of Biology, Chemistry, Pharmacy , Freie Universität Berlin , Takustrasse 3 , 14195 Berlin , Germany.
  • Keller B; Department of Biology, Chemistry, Pharmacy , Freie Universität Berlin , Takustrasse 3 , 14195 Berlin , Germany.
  • Riniker S; Department of Biology, Chemistry, Pharmacy , Freie Universität Berlin , Takustrasse 3 , 14195 Berlin , Germany.
J Chem Inf Model ; 59(1): 294-308, 2019 01 28.
Article in En | MEDLINE | ID: mdl-30457855
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Peptides, Cyclic / Cell Membrane Permeability / Molecular Dynamics Simulation Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2019 Document type: Article Affiliation country: Country of publication:
Fulltext
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Peptides, Cyclic / Cell Membrane Permeability / Molecular Dynamics Simulation Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2019 Document type: Article Affiliation country: Country of publication: