From chemistry-request@ccl.net Mon Jun 17 12:16:49 1991
From: breneman@quant.chem.rpi.edu
Date: Mon, 17 Jun 91 11:14:24 EDT
Subject: Modeling Workshop at Rensselaer
Status: R



        The Department of Chemistry at Rensselaer Polytechnic
Institute, in Troy, New York, will sponsor a molecular modeling
workshop this summer designed for professional chemists just
making a start in molecular modeling.  Lectures on the first day will
focus on these questions:  How do you approach a problem in
molecular modeling?  What can you hope to learn?  Later in the
course more advanced topics will cover aspects of molecular
mechanics and quantum mechanics relevant to molecular modeling.
One day will be devoted to some special considerations in modeling
of complex biomolecules.

        A large portion of each day will be devoted to hands-on
experience with two major molecular modeling software packages
on modern graphics workstations.  Workstations will be available all
day and throughout the evening for participants to experiment with.

        The workshop will begin at 9:00 A.M. on Thursday, August 1 and
end at 1:00 P.M. on Sunday, August 4.  Troy is located just outside of
Albany, NY.

        A course brochure and further information is available from
"Breneman@quant.chem.rpi.edu".



From chemistry-request@ccl.net Mon Jun 17 12:45:30 1991
Date: Mon, 17 Jun 91 09:58:07 -0400
From: nobody@Kodak.COM
To: "chemistry@ccl.net"@Kodak.COM
Subject: RE: Poly-Ala
Status: R

>From:	NAME: Adi M. Treasurywala           
	FUNC: Biophys. & Compu. Chem.         
	TEL: (518)445-7042                    <TREASURYWALA@A1@DSRGVJ>
To:	NAME: BLACK@OHSTPHRM.PHARMACY.OHIO-S <"BLACK@OHSTPHRM.PHARMACY.OHIO-STATE.EDU"@KODAKR@MRGATE@DSRGVK>,
	"chemistry@ccl.net"@KODAKR@MRGATE@WPC

          Regarding the Poly ala (or actually ploy Gly) question. I was
          at a Biophysical Society Meeting in Feb 1990 where I heard a
          remarkable presentation by Dr. E. Stellwagen (univ. of Iowa). The
          talk was titled "effect of amino acid replacements on a peptide
          helix/coil transition."
          As some in the field like to say "this was REAL data" and there
          was LOTS of it. I think that the facts that relate to what you are
          looking for (including the solubility issue that Shaun raised) may
          be in this gentleman's hands already. (I had never met the man
          before so this is NOT A COMMERCIAL!).
          Starting with  Ac-AEAAAKEAAAKEAAAK-amide (this is structurally
          similar to poly ala but soluble enough to measure CDs on) he made
          what seemed like every point substitution that you could think of
          and measured the helix/coil ratios by CD. There were some nice
          results where position independant additive rules could be stated
          at least in some cases.
          I would suggest that you get in touch with him. When I asked
          him after the seminar if any computational chemists were
          interested in simulating his findings he mentioned that he was not
          aware that any were!
          
          Adi T.
          (adit@kodak.com)