Subject: GENERAL QUESTION

From: Deepak Singh <[email-masked]>
Date: Wed, 26 Jan 2000 16:38:17 -0500

Hi CCLer's

I have been reading up some papers on this subject and would like a
second opinion.  Caves, Evanseck and Karplus , Protein Sci. (1998),
7:649-666 argue for multiple (100-120 ps) md simulations of a protein as
opposed to long nanosecond scale simulations.  The Karplus approach
seems to be yielding fairly good results for me, but what I have not
seen that many examples of this approach in literature (it was published
just under two years ago).  Do you think that such an approach is valid
for homology models where there is no real "reference structure"?

Any input is much appreciated.  If there is sufficient interest, I will
post a summary.

Thanks and regards

Deepak.

--
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Deepak Singh                        Tel : (315)443 1739 (w)
Graduate Student                          (315)472 9659 (h)
Dept. of Chemistry                  Fax : (315)443 4070
Syracuse University               email : [email-masked]
1-014 CST, Syracuse                 URL : http://web.syr.edu/~desingh
NY 13244

"Violence is the last refuge of the incompetent." --- Salvor Hardin
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