Setting up Molecular Dynamic Simulations to determine Binding sites on MoHik1p

Slots: 1
Hours per week: 4
Completion within: 9 months

For students inrolled in:
Biology B.Sc., BMC B.Sc., Mathematics-Infomatics B.Sc., Molecular Biology B.Sc., Molecular Biotechnology B.Sc., Physics B.Sc.,

Discription
MoHik1p is a protein that is crucial for the mechanism of action of Fludioxonil which is a common fungicide. But its exact mechanism is still unclear and we want to use MD simulations to get deeper insights to the protein - ligand interactions.

Role of the students
Your task will be to set up MD simulations, learn the basic concepts of simulation methods, and interpret the results. The simulations will be performed using the common Gromacs simulation software, while the analysis will be performed in VMD and using Python modules like MDAnalysis.

Qualifications
Basic Python and MD simulation skills are necessary. You will have to use Linux in this project. However, you won't need basic Linux skills since you will learn it through the project.


Supervisor: Jonas Paulus
Location: Campus Mainz
Primary Language: German


If you have any further questions you can always write a mail to quest@uni-mainz.de.

 

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