Subject: Genetic algorithms in chemistry

From: "T.Meyarivan" <[email-masked]>
Date: Mon, 1 Nov 1999 15:32:34 +0530 (IST)

Hi,
    can someone enlighten me as to the extent of use of genetic algorithms
    in problem solving in chemistry. I have heard people use it for 
    protein docking simulations, energy minimization calculations etc
    but since none of them make their code available its difficult to
    verify it. Since a vast majority of problem solving in chemistry using
    computers involves search , i feel that genetic algorithms would fit
    in nicely in such a application. 

							with regards,

							T.Meyarivan

---

From: Maneesh Yadav <[email-masked]>
Date: Mon, 1 Nov 1999 14:00:57 -0800 (PST)

Hi !
You may want to check out Autodock from Art Olson's group
(www.scripps.edu then to research than to Art Olson than to Autodock),
which uses GA's for searching conformation space; source is also
available.  THere really isn't much to look at except to know that the
gene that they are using is a quaterinion and I'm not sure of what the
mutation/crossover metrics are.

Best of Luck
MAneesh

On Mon, 1 Nov 1999, T.Meyarivan wrote:

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