Difference between revisions of "Molecular Dynamics Simulations GLA"
From Bioinformatikpedia
(Created page with "<sup>by Benjamin Drexler and Fabian Grandke</sup> =Introduction= =Methods= ==Preparation== ==GROMACS files== ==Minimization== ===Solvent=== ==…") |
(→Introduction) |
||
Line 2: | Line 2: | ||
=Introduction= |
=Introduction= |
||
+ | The aim of the task was to simulate the molecular dynamics of our protein. For that we used the tool [http://www.gromacs.org/ 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 [[Sequence-based_mutation_analysis_GLA#I117S_.28Mutation_3.29|I117S]] and [[Sequence-based_mutation_analysis_GLA#Q283P_.28Mutation_8.29|Q283P]]. |
||
=Methods= |
=Methods= |
Revision as of 18:23, 14 August 2011
by Benjamin Drexler and Fabian Grandke
Contents
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
GROMACS files
Minimization
Solvent
System
Equilibration of the system
Production run
LRZ
Results/Discussion
References
<references />