Supplementary Files for Pore-Level QSAR on Aquaporins

Supplementary Files for Pore-Level QSAR on Aquaporins

These files include the output files from PoreWalker server used in the pore-level QSAR performed. An ad-hoc Python script  prepared to perform all regression, statistical and y-scrambling analyses is also provided.

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Bibliographische Detailangaben
Hauptverfasser: Bergamasco, Luca, Galano-Frutos, Juan José
Format: Dataset
Sprache:eng
Schlagworte:
Aquaporins
bioinspired membranes
macromolecules
molecular descriptors
QSAR
structural features
water permeation
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Beschreibung
Zusammenfassung:These files include the output files from PoreWalker server used in the pore-level QSAR performed. An ad-hoc Python script  prepared to perform all regression, statistical and y-scrambling analyses is also provided.
DOI:10.5281/zenodo.13951638