Subject: Re: CCL:Modelling hydrophobic interactions

From: "Dr. Dave Winkler" <[email-masked]>
Date: Mon, 6 Jun 94 10:01:15 EST

>Dear colleagues;
>
>     I am interested in examining the interactions between biological mem-
>branes and hydrophobic weak acids in order to better understand why some of
>these acids are toxic towards cells and others are not.  The molecular
>modelling software I have at my immediate disposal are Hyperchem 3.0 and
>MOPAC 6.0.  Can anyone suggest how these programmes might be used to examine
>prospective interactions between biomembranes and small molecular weight com-
>pounds?  Would anyone care to recommend _other_ programmes which can be used
>to accomplish this?
>
>     Thanks in advance to all respondents.
>
>                                            Sincerely,
>
>                                            S. Shapiro
>                                            Internet: [email-masked]
>
>P.-S.: Of course, references and citations are also useful.
>
>

I would suggest contacting Glen Kellogg at Virginia Commonwealth University 
([email-masked]) and obtain the HINT! program.  It can map hydrophobic 
feilds around macromolecules and calculate interactions with small molecules.  
It is not very expensive.

Cheers,

Dave
__________________________________________________________________________

   Dr. David A. Winkler                        Voice: 61-3-542-2244      
   Principal Research Scientist                Fax:   61-3-543-8160      
   CSIRO Division of Chemicals and Polymers
   Private Bag 10       
   Clayton, Australia.

   "Life is what happens to you while you're making other plans"