Transporters
The Mhp1 transporter (shown as red and yellow ?-helices) was simulated in a membrane. An initially bound sodium ion (blue) was released during the simulations. Molecular dynamics simulations can show microscopic processes in extremely high atomic detail and so help to better understand protein function. The lab is working on understanding how these transporters work: Which parts are moving, which parts of the protein interact with ions and the transported substrate, what are the energetic costs.
Alternating access in Mhp1 describes in more detail what we have already learned about the function of transporters with the help of computer simulations.
