Models of the chloroquine resistance transporter from the human malaria parasite Plasmodium falciparum

<p>The directory contains models of the chloroquine resistance transporter from the human malaria parasite Plasmodium falciparum (PfCRT) in three different conformations (open-to-vacuole, occluded and open-to-cytosol), the systems used to start molecular dynamics simulations with these models and the raw data obtained from the molecular dynamics simulations.</p> <p>Details about the modeling and simulations can be found in the paper:<br> pH-dependence of the Plasmodium falciparum chloroquine resistance transporter is linked to the transport cycle<br> Fiona Berger, Guillermo Gomez, Cecilia P. Sanchez, Britta Posch, Gabrielle Planelles, Farzin Sohraby, Ariane Nunes-Alves, and Michael Lanzer<br> (to be available soon)</p> <p>&nbsp;</p>