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Date: Wed, 2 Aug 2000 10:46:39 -0400 (EDT)
From: "C.F. Matta" <mattacf@mcmail.cis.McMaster.CA>
To: Jan Torleif Pedersen <JATP@lundbeck.com>
cc: "'chemistry@ccl.net'" <chemistry@ccl.net>
Subject: Re: CCL:Ab-initio charges for blocked amino-acids
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Hi Dr. Pedersen,

Have a look to our recent publication (which will be followed by 2 papers
probably this year):

Matta,C.F. and Bader, R.F.W. "An Atoms-In-Molecules Study of the
Genetically-Encoded Amino Acids: I.  Effects of Conformation and of
Tautomerization on Geometric, Atomic, and Bond Properties".  
PROTEINS: Structure, Function and Genetics Vol.40: 310-329 (2000).

You may find answers to your questions.

Take care.

Cherif
___________________________________________________________________________

  Cherif F. Matta                         tel. (905) 525-9140 ext. 22502
  Chemistry Department                    fax  (905) 522-2509
  McMaster University
_______________________
  Hamilton, Ontario, CANADA L8S 4M1.                | "Choice not chance
....................................................|  determines one's
 Member of the Board of Governors of the University |  destiny". Anonymous
___________________________________________________________________________