AMBER Archive (2009)

Subject: RE: [AMBER] DM complexation

From: . .. (m.o.m_at_live.fr)
Date: Tue Feb 17 2009 - 09:36:01 CST

Hi,
I have the structure of my ligand and the structure of the molecule host,
I want to check if the 2 molecules form a 1:1 complex, followed by a 2:1 complex (with 2 host molecules and a ligand)
thanks

> Date: Tue, 17 Feb 2009 10:28:34 -0500
> Subject: Re: [AMBER] DM complexation
> From: carlos.simmerling_at_gmail.com
> To: amber_at_ambermd.org
>
> please be more specific about "to study". to study what- structure,
> dynamics, binding energy, and so on. what data do you have, and what
> do you want to calculate?
>
> On Tue, Feb 17, 2009 at 10:10 AM, . .. <m.o.m_at_live.fr> wrote:
> >
> >
> >
> >
> > HI,
> > what is methodology to study a ligand receptor complex (2:1) two same molecule receptor and one molecule ligand??
> > thanks
> >
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