[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
>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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