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Molecular dynamics of oligopeptides. A comparative study of residue interactions in dipeptides

✍ Scribed by Shaitan, K. V. ;Levtsova, O. V. ;Tereshkina, K. B. ;Orshanskii, I. A. ;Antonov, M. Yu. ;Akimov, M. P. ;Nikolaev, I. N.

Book ID
110156985
Publisher
Biophysical Society of Japan
Year
2008
Tongue
English
Weight
206 KB
Volume
53
Category
Article
ISSN
1349-2942

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## Abstract Molecular dynamics studies have been performed on the zwitterionic form of the dipeptide glycine–alanine in water, with focus on the solvation and electrostatic properties using a range of theoretical methods, from purely classical force fields, through mixed quantum mechanical/molecula