Understanding Correlation measurements of Protein motions from MD trajectories

in #steemstem6 years ago (edited)
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Interesting. So where all is correlation mapping used? And are correlation maps result if MD simulations or they are made from wet lab experimental data?

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.

You cannot infer causation from correlation

This must be repeated and repeated again and again! Nice generic explanations by the way!

Thank you lemouth for the comment.

Yeah I should be careful to highlight that point regarding correlation. 😃.

You were actually careful, don't worry. I was referring to people in general who are not.

If yall have not seen the book Spurious Correlations ya must.

I know this link, and every time I go there, I have so much fun! Thanks for bringing it back into my memory :)

This is great. I’d consider myself a biochemist and even I learned something here. I was going to ask if these were based on computational calculations or actual measurements, but it looks like @scienceblocks got that answer out of you already :)

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