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Team:EPF-Lausanne/Modeling
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==Molecular dynamics: a little theory== | ==Molecular dynamics: a little theory== | ||
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[[Media:Introduction_to_molecular_Dynamics_Simulation.pdf | Introduction to Molecular Dynamics Simulation - Michael P. Allen]] | [[Media:Introduction_to_molecular_Dynamics_Simulation.pdf | Introduction to Molecular Dynamics Simulation - Michael P. Allen]] | ||
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Revision as of 07:54, 21 September 2009
Contents |
Protein domain of interest
Our protein of interest is LOVTAP. This protein was sythetically engineered by Sosnick group. It is a fusion protein between a LOV domain (Avena Sativa phototropin 1) and the E. Coli tryptophan repressor. This protein undergoes changes under light activation as shown by Sosnick et al, in fact when the protein is activated by light it binds DNA and inversely. For more information about LOVTAP protein please click here.
Goal
Starting material
Both LOV domain crystallography files were obtained from RCSB:
These crystallographies were done by Halavaty et al..
Molecular dynamics: a little theory