Subject: Re: CCL:conformation of glycoprotein

From: [email-masked] (Shaomeng Wang)
Date: Mon, 10 Jul 95 11:34:33 -0400

Hello, Henry,

There is a recent paper in J. Medicinal Chemistry (1994, 37, 616-624) entitled 
" Molecular Modeling Studies on Ligand Binding to Sialidase from Influenza Virus and the
Mechanism of Catalysis" by Neil R. Taylor and Mark von Itzstein that might be
helpful.

-Shaomeng Wang, Ph.D.

National Cancer Institute National Institutes of Health
Bethesda, MD 20892, USA

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From: [email-masked] (Jeffrey L. Nauss)
Date: Mon, 10 Jul 1995 09:37:24 -0400

>From: Zhang HongYu <[email-masked]>

>Does anyone know any works and references about modeling of conformation
>of carbohydrate part of glycoprotein? I've searched CA between 1986 and
>1993, but got little result.

I am not aware of any.  However, you might want to post the question
to the newsgroup bionet.glycosci.

Please post a summary of your responses to CCL.

                                                Jeff Nauss

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*  UU    UU             Jeffrey L. Nauss, PhD                              *
*  UU    UU             Director, Molecular Modeling Services              *
*  UU    UU             Department of Chemistry                            *
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*   UU  UU CCCCCCCC     Cincinnati, OH 45221-0172                          *
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From: [email-masked] (Ulf Ryde)
Date: Tue, 11 Jul 1995 10:20:39 +0200

Dear Henry, 

here are three references about carbohydrate force fields:

Homans SW: Biochem. 29(1990)9110
Glennon TM, et al.: J. Comput. Chem. 15(1994)1019
Woods RJ, et al.: J. Phys. Chem. 99(1995)3832

The last one is included in the Amber41 force field.

Ulf Ryde
Dep. Theoretical Chemistry
University of Lund
POB 124 
S-221 00 Lund 
Sweden
[email-masked]
Fax:   46-46-2224543
Phone: 46-46-2224502