AMBER Archive (2009)

Subject: Re: [AMBER] Chlorine containing molecule

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Wed Feb 11 2009 - 07:48:27 CST


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_at_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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