Re: [AMBER] pi-pi stacking interaction and hydrogen bonding with amber

From: Jiri Sponer <sponer.ncbr.muni.cz>
Date: Mon, 16 Jul 2012 18:47:58 +0200 (MEST)

Semiquantitatively yes,
see J.Chem.Theor.Comput. 2012, Banas et al
Can We Accurately Describe the Structure of Adenine Tracts in B-DNA?
Reference Quantum-Chemical Computations Reveal Overstabilization of
Stacking by Molecular Mechanics
pp 2448-2460
and references therein

or older paper P. Hobza et al J.Comput Chem. 1997
Hobza and Sponer, Chem. Rev. 1999

Jiri



On Mon, 16 Jul 2012, jit mukherjee wrote:

> Date: Mon, 16 Jul 2012 22:07:31 +0530
> From: jit mukherjee <jitiitkgp.gmail.com>
> Reply-To: AMBER Mailing List <amber.ambermd.org>
> To: amber <amber.ambermd.org>
> Subject: [AMBER] pi-pi stacking interaction and hydrogen bonding with amber
>
> Dear amber users,
> Is simple MM simulation appropriate for take care of the aromatic pi-pi
> interaction and hydrogen bonding?
> Regards,
> jit
> _______________________________________________
> AMBER mailing list
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>

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Received on Mon Jul 16 2012 - 10:00:03 PDT
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