Interconversion Rates between Conformational States as Rationale for the Membrane Permeability of Cyclosporines

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Author
Witek, Jagna
Mühlbauer, Max
Keller, Bettina G.
Blatter, Markus
Meissner, Axel
Wagner, Trixie
Riniker, Sereina
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Date
2017-12-06
Type
  • Journal Article
Publication status
published
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Journal / series
ChemPhysChem
Volume
18(23)
Pages / Article No.
3309 - 3314
Publisher
Wiley
Subject
cyclosporine; kinetics; Markov state models; membrane permeability; molecular dynamics
Organisational unit
09458 - Riniker, Sereina Z. / Riniker, Sereina Z.  
09458 - Riniker, Sereina Z. / Riniker, Sereina Z.  
Funding
159713 - Computer simulation of small organic molecules for computer-aided drug design (SNF)
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Citations
Cited 6 times in Web of Science
ETH Bibliography
yes
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