Re: [AMBER] Chlorine containing molecule

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Wed, 11 Feb 2009 08:48:27 -0500

we published a study of compounds with Cl substituents on aromatic rings in
this work:
*
*Rafi, S., Cui, G., Song, K., Cheng, X., Tonge, P. and Simmerling, C.,
*"Insight
through MM-PBSA Calculations into the Binding Affinity of Triclosan and
Three Analogs for FabI, the E. Coli Enoyl Reductase"*, J. Med. Chem.,
49:4574-4580 (2006).

On Wed, Feb 11, 2009 at 8:39 AM, CHAMI F. <fatima.chami.durham.ac.uk> wrote:

>
> Hello every one,
>
> I have a Chlorine atom coordinated to a Carbon atom of a phenyl group in
> my molecular system. Is there parameters for Chlorine atom ??
>
> best wishes
> Fati
>
>
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Received on Fri Feb 13 2009 - 01:09:25 PST
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