[gmx-users] Re: PCA and free energy profiles

Ing. Vojtech Spiwok Vojtech.Spiwok at vscht.cz
Mon Aug 29 09:07:10 CEST 2005

gmx-users Digest, Vol 16, Issue 70Maybe this is what you are looking for


Vojtech Spiwok

>I am studying the different features of protein by using principal
>component analysis. One of them is free energy profiles. I was wondering
>if PCA is able to reveal a measure of ruggedness of free energy profiles.
>If anyone knows some papers regarding this topic, please, let me know.

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