| Research topic | The development of cell permeability prediction model based on the DFT derived ΔGhyd and ΔGhept molecular descriptors. |
|---|---|
| Reference number | DPHA2RD |
| Overview | This project will integrate a curated dataset of MDCK cell–based permeability measurements for drugs and drug like compounds with the computed ΔG values and with the differential solubility term ΔΔG = ΔGhyd − ΔGhept. By correlating these parameters, the study aims to quantify the statistical relationship between solvation free energies and membrane permeability. The analysis will also help identify additional physicochemical descriptors—such as molecular size—that significantly influence a molecule’s ability to cross biological membranes. For further details, please see the advert attachment. |
| Details | See advert and details and supplementary information |
| Duration | 3 years |
| Fees | Self-funded |
| Stipend | Self-funded |
| Closing date | Applications accepted all year round |
| Apply | |
