Systems
The final configuration of the systems described below are available for download. Gromacs files for an easy start-up of new simulations are also included. Use freely and please cite the respective papers where the research was published. If you have a question please send a message through the contacts page form.
Final configuration of the MD refined murine P-glycoprotein structure.
Please cite the following papers:
Insights on P-Glycoprotein’s Efflux Mechanism Obtained by Molecular Dynamics Simulations682 Downloads
Final configuration of the MD refined ABCG2 homology structure.
Please cite the following paper:
619 DownloadsWith ATP:
594 Downloads
Final configuration of the MD refined human P-glycoprotein homology structure.
Please cite the following papers:
Manuscript was submited.
hPgp:
533 Downloads