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Prediction of drug-packaging interactions via molecular dynamics (MD) simulations

✍ Scribed by Peter Feenstra; Michael Brunsteiner; Johannes Khinast


Book ID
113655838
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
863 KB
Volume
431
Category
Article
ISSN
0378-5173

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Predicting the proton conductivity of pe
✍ Young Gyun Kim; Young Chan Bae πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 631 KB

## Abstract The electrochemical properties of a perfluorosulfonic acid (PFSA) membrane are estimated using a combination of molecular dynamics simulation and statistical thermodynamic model. We obtain all parameters in an ionic conductivity model from an atomistic simulation and remove all adjusted