From uucp@scnit.saratov.su  Wed Feb 21 05:48:32 1996
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Please subscribe me on CCL Vadim I.Polyakov
                          e-mail:polyakov@scnit.saratov.su


From MAILER-DAEMON@www.ccl.net  Wed Feb 21 08:48:40 1996
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Date: 21 Feb 1996 07:18:07 GMT
From: "MSBEA01.SUBRAPS" <SUBRAPS@PO>
Subject: Dipole-Dipole Interaction in Dynamics
To: chemistry@www.ccl.net
Comment: MEMO 1996/02/21 07:25


----------------------------------------------------------------------
THIS MAIL MESSAGE IS FROM THE INTERNET AND MAY HAVE BEEN READ, COPIED,
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Dear List Members,


   Is there a Molecular Dynamics Package which incorporates dipole-dipole
interaction in the electrostatic computation?.
I would appreciate any input in this regard.


  Thanks


 --Mani--

Dr. P. S. Subramanian
Fuels and Lubrication Division
Texaco Inc.
P. O. Box 509
Beacon, NY 12508
email: SUBRAPS@texaco.com
vmail: 914-838-7561






From owner-chemistry@ccl.net  Wed Feb 21 11:14:23 1996
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Date: Wed, 21 Feb 1996 18:11:25 
From: "Nekrasov Alex" <alne@ibch.siobc.ras.ru>
Organization: ibch
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Subject: research project



Dear Collegues:

	We would like to collaborate with you and submit a joint research 
proposal to U.S. Civilian Research and Development Foundation 
(WWW: http://www.internext.com/crdf).
We look forward to beginning the dialogue and then to expanding our research 
and business relations. If you are interested in cooperation in these mutual 
investigation we will greatly appreciate you kindly reply by FAX or E-mail. 
Please do not reply to the mailing list because we are not subscribed.

Dr. A. Wulfson, Ph.D.
Head of the Recombinant Proteins Group
FAX:  +7 (095) 330-7274
E-mail:  wan@ibch.siobc.ras.ru
_____________________________________________________________________________
General:  our research group of biotechnology of recombinant proteins deals 
with isolation, purification and production of biologically active human 
recombinant proteins such as cytokines and insulin. Recently we carried out 
the development of a technological scheme for the production of human 
TNF-alpha (wild-type as well as  mutants), Il-3 and IFN-gamma. Based upon 
strains designed at our Institute, we are developing at present the 
technological operation for production of insulin. Results of our 
investigation of TNF-alpha will be published in 
Russian Journal of Bioorganic  Chemistry N3, 1996 
(English edition is available)
"An Effective Method of Purification For Human Recombinant Tumor Necrosis 
Factor Alpha".
R.V. Tikhonov, S.A. Yakimov, V.G. Korobko, A.N. Wulfson
Shemyakin and Ovchinnikov Institute of Bioorganic Chemistry, 
Russian Academy of Sciences, 117871, Miklukho-Maklaya St. 16/10, 
Moscow, Russia.

During the progress of our research work we have faced some problems 
connected with preservation of biological activity of  rhIFN-gamma. 
That's only one reason why we have no opportunity to start the clinical 
trials of our product and make promotion of the medicines based on rhIFN-gamma 
for clinical applications. To solve this problem we are going to make 
experimental work to design more stable variants of  rhIFN-gamma in the 
following lines of investigation:

1. COMPUTER DESIGN OF PROTEINS
The computer modeling by the molecular dynamics method of protein spatial 
structure to determine potential mutation regions which allow formation of 
rhIFN-gamma dimer binding by S-S bonds.

2. GENETIC ENGINEERING
a) Preparation of  N-terminal deletion mutants lacking 7-10 residues. We 
suppose that such shortening will increase the stability of protein and 
facilitate its renaturation without lost of protein activity 
b). Preparation of mutant analogs of rhIFN-gamma in which the spatial 
structure would be stabilized by intermolecular S-S bonds.

3. STRUCTURAL ANALYSIS
Analysis  of  the protein dimer  spatial structure by  X-ray analysis  or  
NMR-spectroscopy.

4. BIOTECHNOLOGY
Isolation and purification of the recombinant protein, its renaturation and 
determination of reagents and buffer solutions in which the protein remains 
stable during long time periods and can be lyophilized with minimal lost of 
activity.

We hope that a combination of these approaches would give us the possibility 
to design stable substance of protein rhIFN-gamma for our further work.


From polowin@hyper.hyper.com  Wed Feb 21 13:48:37 1996
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Date: Wed, 21 Feb 96 13:22:27 -0500
From: polowin@hyper.hyper.com (Joel Polowin)
Message-Id: <9602211822.AA18627@hyper.hyper.com>
To: dsmith@debye.dasgroup.com (Doug Smith), CHEMISTRY@www.ccl.net
Subject: Re:  CCL:problem running Hyperchem 4.5


> From: dsmith@debye.dasgroup.com (Doug Smith)
> Date: Tue, 20 Feb 1996 23:10:07 +0000
> 
> I have version 4.5 running on my Pentium, along with ChemPlus 1.5.  I have
> just changed from Windows 3.1 to Windows NT Workstation 3.51. Now Hyperchem
> does not find the hardware lock, and looks on the network for a network
> license (which doesn't exist). How can I quickly fix this problem?

For HyperChem to communicate with the hardware lock under Windows NT, it
is necessary to install an NT port driver.  That driver is available via
our WWW page (http://www.hyper.com ) under Support / FAQs, or from our
ftp site (ftp.hyper.com) in the support directory.  The file is rainport.exe,
and it is a self-extracting archive file that should be executed with the
'-d' option to restore the directory structure of the archive:

rainport -d

It contains README files that describe the installation procedure.  The
driver is, of course, also available by writing to support@hyper.com .

Joel

------------
Joel Polowin, Ph.D.   Manager, Scientific Support
Email to: polowin@hyper.com 

Hypercube Inc, 419 Phillip St, Waterloo, Ont, Canada N2L 3X2 (519)725-4040
Info requests to: info@hyper.com    Support questions to: support@hyper.com
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