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RE: Understanding Correlation measurements of Protein motions from MD trajectories

in #steemstem7 years ago (edited)

Ok think about a case to see how processes like allostery propagates in a protein or protein protein complex. (Or it can be any bio molecular complex) using correlation maps you can see how the signal propagates. Like we can see how a region interacts with other. Whether it is a repulsive interaction or not. But bare in mind about caveats. It doesn't imply causation.

These maps are usually results of MD simulations. I don't think wet lab experiments can get data with this resolution. And the time scale for averaging to get these maps are of the order of nanoseconds.

Let me know if I answered your questions.