[gmx-users] PCA and free energy profiles

Gia Maisuradze gia at chem.unr.edu
Fri Aug 26 19:20:12 CEST 2005


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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