Team:EPF-Lausanne/Information & references

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===LOVTAP simulation===
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===LOV2 & LOVTAP references===
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<span style="color:midnightblue">We will follow the following article protocol: </span>
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# Strickland et al. '''Light-activated DNA binding in a designed allosteric protein.''' Proceedings of the National Academy of Sciences (2008) vol. 105 (31) pp. 10709 [[Media:Light-activated.pdf‎ | Article]]
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<br> Freddolino, P.L., Dittrich M., Schulten K., Dynamic Switching Mechanisms in LOV1 and LOV2 Domains of Plant Phototropins. Biophysical Journal, 91, 3630-3639, 2006 ([http://www.ncbi.nlm.nih.gov/sites/entrez?db=pmc&cmd=search&term=PMC1630464 Pubmed])
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# Freddolino, P.L., Dittrich M., Schulten K., '''Dynamic Switching Mechanisms in LOV1 and LOV2 Domains of Plant Phototropins'''. Biophysical Journal, 91, 3630-3639, 2006 ([http://www.ncbi.nlm.nih.gov/sites/entrez?db=pmc&cmd=search&term=PMC1630464 Pubmed])
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===VMD informations===
===VMD informations===

Revision as of 15:25, 17 October 2009

Contents

Information and references



LOV2 & LOVTAP references

  1. Strickland et al. Light-activated DNA binding in a designed allosteric protein. Proceedings of the National Academy of Sciences (2008) vol. 105 (31) pp. 10709 Article
  2. Freddolino, P.L., Dittrich M., Schulten K., Dynamic Switching Mechanisms in LOV1 and LOV2 Domains of Plant Phototropins. Biophysical Journal, 91, 3630-3639, 2006 ([http://www.ncbi.nlm.nih.gov/sites/entrez?db=pmc&cmd=search&term=PMC1630464 Pubmed])

VMD informations

VMD is used to visualize molecules. It is quite user friendly.

  • A tutorial for VMD can be found [http://www.ks.uiuc.edu/Training/Tutorials/ here].


NAMD informations

NAMD performs minimization and equilibration.

  • A tutorial is on the same page as for VMD, [http://www.ks.uiuc.edu/Training/Tutorials/ here].
  • [http://www.ks.uiuc.edu/Research/namd/2.7b1/ug/ NAMD 2.7b1 User's Guide]
  • Summary of parameters setting


Run a simulation

A simulation is composed of different steps. Here are a few links that deal with heating and stabilization.

  • [http://www.ks.uiuc.edu/Research/namd/tutorial/NCSA2002/hands-on/ Building Gramicidin A: Equilibration]: protocol uses a single .conf file, heating process is too fast.
  • [http://www.biochemistry.uab.edu/robinson/documents/howto/modeling/NAMD_notes.htm NAMD notes from Robinson Lab]: a really nice heating process, but involves different .conf files, which is really painful.


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