Subject: SUMMARY on CHARMM for oligosaccharides

From: "Igor V. Pletnev" <[email-masked]>
Date: Thu, 18 Jul 96 17:47:17 +0400

Dear all,

Ten days ago I have asked on CHARMM parameters for oligosaccharides.
There were two replies (and two requests for summary).

1) Peter Grootenhuis pointed to his CHEAT-force field in which the
Carbohydrate Hydroxyls are represented by Extended AToms. The force field is
based on CHARMm and includes the anomeric effect. The reference is:

M.L.C.E. Kouwijzer & P.D.J. Grootenhuis, J. Phys. Chem 99, 13426-13436 (1995).

The force field parameters can be obtained at URL:
http://www.biosym.com/support/life/quanta/cheat95.html

[- NB: I failed to get them through my e-mail interface to WWW]

2) Mark J. Forster indicated the recent publication -

Force field parameters for carbohydrates
by S.Reiling, M.Schlenkrich and J.Brinkmann in
J. Comp. Chem. vol 17, 450-468 (1996).

Many thanks to Peter and Mark!

Best wishes,
Igor

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Dr. Igor V. Pletnev            [email-masked]
Chem.Dept.,
Lomonosov Moscow State Univ.
119899 GSP-3 Moscow, Russia
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