Published January 20, 2022 | Version 1.0
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lundborgmagnus/improved_sc_permeability_run_input: First version of input files for AWH-FEP skin permeability calculations

Authors/Creators

Description

For reproducing data in Lundborg et al., Refined Predictions of Skin Permeability Using Molecular Dynamics Simulation and the Accelerated Weight Histogram Method in Two Dimensions.

Files

lundborgmagnus/improved_sc_permeability_run_input-1.0.zip

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Related works

Is supplement to
https://github.com/lundborgmagnus/improved_sc_permeability_run_input/tree/1.0 (URL)