AMBER Archive (2004)

Subject: Re: AMBER: Nonplanar ring systems in nucleic acid

From: darden (darden_at_gamera.niehs.nih.gov)
Date: Wed May 19 2004 - 16:05:59 CDT

There is a paper giving spectroscopic evidence for nonplanar adenine by
roger miller of UNC Chapel Hill:
Dong F, Miller RE "Vibrational transition moment angles in isolated
biomolecules: A structural tool"
SCIENCE 298 (5596): 1227-1230 NOV 8 2002
He notes that DFT fails to give the nonplanarity captured by MP2
Tom D

On Wed, 19 May 2004, Ilyas Yildirim wrote:

> Hi amberlist members,
>
> I am trying to find some papers on nonplanar ring systems of nucleic
> acids. Particularly, I am interested on the amino group of cytosine ring.
> Do anyone of you know any reference on this subject? Any papers published
> by Jiri Sponer or Pavel Hobza on this nonplanar geometry, or by anyone
> else? Thanks in advance.
>
> Best,
>
>

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