Team:UANL Mty-Mexico/Modeling/3Dmodel

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iGEM UANL 2012


Overview


We aim to build an integrative theoretical model—based on discrete molecular dynamics simulations with independent force field implementations—which includes several phenomena involved in the functioning of the E. cologic synthetic system.


Modules


In order to grasp the essential parts of the system, we divided the procedure into single modules—each one consisting in discrete sets of algorithms—that integrate the entire model, which is able to explain part of the system from a general point of view, to some of the key particularities. Our model is divided into the following modules with their corresponding sub-modules:


  • Structure prediction

    • rhMT

    Assemblies

  • Assemblies stability

    • rhMT-L2

    OmpA-L2

    Mocr-[rhMT]x

  • Metal-binding behaviour

    • rhMT

    rhMT-L2

    Mocr-[rhMT]x


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