Re: CCL:Ab-initio charges for blocked amino-acids
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
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Cherif F. Matta tel. (905) 525-9140 ext. 22502
Chemistry Department fax (905) 522-2509
McMaster University
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Hamilton, Ontario, CANADA L8S 4M1. | "Choice not chance
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Member of the Board of Governors of the University | destiny". Anonymous
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