Subject: Molecular Modeling and Industries

From: Adrian Turjanski <[email-masked]>
Date: Thu, 18 Dec 1997 19:41:26 -0300 (ARST)

Hi,

   I'm sending the answers i got about my question of molecular modeling
and industries. 

This was my question:

  Hi, 

>     I had an answer to my question about molecular modeling and
>  indusries, and perhaps i didn't express my self correctly.
> 
>      I know that the question is too general.
> 
>            What i want is that some of you send me some brief
information,
> like with pharmaceuticals industries have you been working with, or
> internet places where I can get some information.Or perhaps  in wich 
subject, 
> like biological activity of a drug or to predict estability of a
> compound etc ....
> 
>  This is only to have an idea. Perhaps it is very common for some of you
> to work with industries and this questions is like " please tell me what
> have you been doing in the last three years". Where I work this is not
the
> case, i don't know about any industrie that uses molecular modeling in
> their research.
> 
> I know that i can find some information looking at some journals or
> by making a search over internet. I'm just asking for some help from
those
> of you that are more familiar with the subject.
> 
> Anything that can give me some orientation or new ideas is welcome.
> I'm sorry is this question my disturb some of you.
> 

Here are the answers

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Hi Adrian,
        have a look to these pages:
http://www.cray.com/solutions/examples/dupont.html
http://www.cis.um.edu.mt/~phcy/symp97/jonathan.htm

        hope it helps a little
bye
Bruno

-------------------------------------------------------

1) Pfizer, Merck, Vertex, Janssen Research Foundation, Dupont-Merck,
Amgen,
Abbott, Parke-Davis, Schering-Plough todas estas compa~nias gigantes
tienen
grupos de Computational Chemistry/ Molecular Modeling.
Naturalmente, cada compa~nia tiene su area de interes   y especializacion
que es dificil, si bien no imposible, saber.
Algunas de las compa~nias mencionadas tienen grupos que desarrollan
programas para estudiar en detalle las interacciones entre peque~nas
moleculas y sus enzimas de interes (o
receptores).

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I am afraid that I agree with Lief Norskov's answer to your original
question - it is impossible to answer. Now your question is more like
"where can I get some idea's or information on how Molecular Modeling is
used by the industries".
I think that the web pages by Molecular Simulations (MSI) would provide
a suitable entrance for your question (www.msi.com). They have a
comprehensive collection of modeling products covering a wide area.
There are also some case studies, which could be useful to look at:
http://www.msi.com/info/applications/index.html
MSI is actually making a big business on this topic -- so yes, Molecular
Modeling is definitely used by the industries :)

Hope this helps

Morten

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Dear Adrian:

You might take a look at our web site (http://www.wavefun.com).  There is
information there on what you're looking for, and links to other places
with more information...

Regards,
Shawn Butler

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Regarding to your recent question at CCL about Molecular
Modeling in industry, I suggest you to check Web sites of
software developpers like MSI (www.msi.com) or TRIPOS
(www.tripos.com).
In these sites you will find some industrial applications of
computational chemistry software.
 Best regards.

[email-masked]

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