Abstract
We report on an accurate computational method to calculate hydration free energies - a key property in predicting the pharmacokinetics of novel pharmaceutical molecules.
| Original language | English |
|---|---|
| Pages (from-to) | 2-4 |
| Number of pages | 3 |
| Journal | G.I.T. Laboratory Journal Europe |
| Publication status | Published - Nov 2010 |
Keywords
- solvation
- integral
- equation
- theory
- rism
- pharmaceutical care
- adme
- admet
- pharmacokinetics
- pharmacology
- industry