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Calculation of proton-transfer energies and electrostatic lattice energies of various amino acids and peptides using CNDO/2 and ab initio SCF methods

✍ Scribed by Voogd, J.; Derissen, J. L.; Van Duijneveldt, F. B.


Book ID
120399160
Publisher
American Chemical Society
Year
1981
Tongue
English
Weight
678 KB
Volume
103
Category
Article
ISSN
0002-7863

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Energy barriers of proton transfer react
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## Abstract Proton transfer reactions were studied in all titratable pairs of amino acid side chains where, under physiologically reasonable conditions, one amino acid may function as a donor and the other one as an acceptor. Energy barriers for shifting the proton from donor to acceptor atom were