Subject: Conformational analysis of nucleosides

From: [email-masked]
Date: Mon, 18 Mar 2002 10:58:01 -0800

Hi All!

My question to you fellow CClers is as follows:

I need to analyze (computationally) the conformations of various
nucleosides, and ribonucleosides having modifications in the furanose and
the heterocyclic base regions. Are you aware of any commercial and/ or
shareware package that can achieve this. I will need to calculate atomic
charges, assign proper atom properties and then perform molecular mechanics
and dynamics simulations to assign determine the likely conformation of the
molecules under study. A program that has the requisite force fields ( any
suggestions for the proper force field to use would be appreciated), and
should have reasonable cost and hardware requirements ( PC compatibility
would be best).

I look forward to the usual helpful responses and thank all respondents in
advance.

Sincerely,

Prasad Dande

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Prasad Dande, Ph. D.
Senior Scientist
Research Chemistry
ISIS Pharmaceuticals
2292 Faraday Avenue
Carlsbad, CA 92008
Tel: 760 603 4671
Fax: 760 603 4654
[email-masked]