Hi there,
I am new to the folding project. I have a question: how can I get the folding trajectories for a given protein, say BBA5.
thanks
How to get the folding trajectories?
Moderators: Site Moderators, FAHC Science Team
Re: How to get the folding trajectories?
Check over at the Papers page. You may be able to identify a paper on the BBA5 results that has the information you need. Also, at least one paper summary has a link to a database of F@H results.
If you need BBA5 trajectory data for research, I would suggest first looking at the raw data already available online for the villin headpiece, to ensure that you have the appropriate computing resources to manipulate F@H data sets. Then look in the project descriptions to find which project has the protein you want, doing the process you want (folding vs. unfolding) under the conditions you want (temperature, solute concentration) and with the solvent model you want (implicit versions vs. explicit versions) The next step would be to write to Dr. Pande or to the researcher(s) involved with the BBA5 projects, explaining what you are going to use the data for and requesting access to the relevant unpublished datasets.
The Pande Group has numerous collaborations with researchers doing "wet chemistry" protein folding experiments - these are particularly valuable for validation of the simulation results. Also, at least two former members of the PandeGroup are currently collaborating with the project to run their own molecular dynamics calculations.
If you need BBA5 trajectory data for research, I would suggest first looking at the raw data already available online for the villin headpiece, to ensure that you have the appropriate computing resources to manipulate F@H data sets. Then look in the project descriptions to find which project has the protein you want, doing the process you want (folding vs. unfolding) under the conditions you want (temperature, solute concentration) and with the solvent model you want (implicit versions vs. explicit versions) The next step would be to write to Dr. Pande or to the researcher(s) involved with the BBA5 projects, explaining what you are going to use the data for and requesting access to the relevant unpublished datasets.
The Pande Group has numerous collaborations with researchers doing "wet chemistry" protein folding experiments - these are particularly valuable for validation of the simulation results. Also, at least two former members of the PandeGroup are currently collaborating with the project to run their own molecular dynamics calculations.