AMBER Archive (2005)

Subject: Re: AMBER: Free energy calculation for protein-protein complex usingMM_PBSA

From: JunJun Liu (ljjlp03_at_gmail.com)
Date: Sat Oct 22 2005 - 02:45:25 CDT

Dear Sippel:

I'm interested to know how's the accracy of such method. And, is there
published work using such method? Thanks a lot!

Best Regards!

Liu

On Thu, 30 Jun 2005 18:32:11 +0800, Martin Sippel <masi_at_nmr.mpibpc.mpg.de>
wrote:

> Dear Zhiguo,
>
> another possibility to calculate the entropy (including the vibrational
> part) is to select only certain residues, e.g. amino acids nearby the
> binding location of the domains, instead of calculating the whole
> complex. Selecting only certain residues should give results in a
> reasonable amount of time and allow to perform these calculations even
> with few memory.
>
> Regards,
>
> Martin
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber_at_scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu 

-- 
JunJun Liu

College of Chemistry
Central China Normal University
WuHan   430079
P.R. China
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu