Molecular Dynamics Simulations GLA

^{by Benjamin Drexler and Fabian Grandke}

Introduction

The aim of the task was to simulate the molecular dynamics of our protein. For that we used the tool GROMACS that has been used in the previous task, as well. Molecular dynamics are very useful to visualize the atomic movements within a protein. In our case we want to investigate, if there are differences between the molecular dynamics of the wildtype of the protein and the two mutations I117S and Q283P.

Methods

Preparation

At first we had to prepare our files. Thereto we completed missing sidechains and removed hydrogen atoms.

References

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