CCL: Papers using PCA to compare MD conformations to crystal
structures?
- From: "Ian Craig" <ianrcraig[#]gmail.com>
- Subject: CCL: Papers using PCA to compare MD conformations to
crystal structures?
- Date: Wed, 3 Feb 2010 09:49:40 -0500
Sent to CCL by: "Ian Craig" [ianrcraig[*]gmail.com]
Dear All,
I am looking for papers in which Principal Component Analysis (or similar) is
used to compare the protein conformations visited by an MD trajectory to a set
of crystal (or NMR) structures.
I imagine this must have been done in this past to characterize the extent of
conformational sampling accomplished by MD simulations. However, I am having
trouble tracking down firm examples.
If anything springs to mind (even if it is just a name and a rough estimate of
the year), I would greatly appreciate it.
Regards,
Ian.