Rationalization of the Membrane Permeability Differences in a Series of Analogue Cyclic Decapeptides

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Author
Witek, Jagna
Wang, Shuzhe
Schroeder, Benjamin
Lingwood, Robin
Dounas, Andreas
Roth, Hans-Jörg
Fouché, Marianne
Blatter, Markus
Lemke, Oliver
Keller, Bettina
Riniker, Sereinacc
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Date
2019-01-28
Type
    Journal Article
Rights / license
In Copyright - Non-Commercial Use Permitted
Permanent link
https://doi.org/10.3929/ethz-b-000315726
Publication status
published
External links
Journal / series
Journal of Chemical Information and Modeling
Volume
59(1)
Pages / Article No.
294 - 308
Publisher
American Chemical Society
Organisational unit
09458 - Riniker, Sereina Z. / Riniker, Sereina Z.  
Funding
178762 - Passive Membrane-Permeability Prediction for Peptides and Peptidomimetics Using Computational Methods (SNF)
ETH-34 17-2 - Combining Machine Learning and Molecular Dynamics to Predict Physicochemical Quantities of Molecules (ETHZ)
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Citations
Cited 54 times in Scopus
ETH Bibliography
yes
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