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There is now a CONTENT FREEZE for Mercury while we switch to a new platform. It began on Friday, March 10 at 6pm and will end on Wednesday, March 15 at noon. No new content can be created during this time, but all material in the system as of the beginning of the freeze will be migrated to the new platform, including users and groups. Functionally the new site is identical to the old one. webteam@gatech.edu
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The diffusion of lipids and proteins within membranes are crucial to a variety of biological processes. With proper physical understanding, the diffusion coefficient gives information about the size, oligomerization, and local environment. It also serves as a standard test of simulation parameters.
We will discuss the statistics involved in calculating diffusion coefficients from both simulation and single-molecule experiments. Getting this right also gives us a nice way to quantify correlated motions in both simulations and experiments. Meanwhile, simulations are typically performed in periodic boundary conditions. We find that these conditions can cause typical simulations to underestimate experiment by a factor of 3 or more.
