Vejleder: Himanshu Khandelia
Projektbeskrivelse:
The activity and the conformational transitions of ATP-consuming and ion-transporting proteins is often controlled by their N-terminus or the C-terminus which are distant from the catalytic sites. In this project, we will use molecular dynamics (MD) simulations to investigate the mechanism of such distant regulation in the Na, K ATPase, the gastric H, K, ATPase and the plant H-ATPase. Each of the proteins serve critical biological functions and are promising drug targets. You will learn about the intermolecular forces, which govern bimolecular interactions, and the computational procedures and techniques to investigate these interactions in-silico. All experiments are performed on computers.
The computer simulations will be setup and performed using software packages, for which detailed manuals are provided. Programming experience is not required, and knowledge of the biochemistry can easily be picked up during the project. Students who wish to work in teams are also welcome.