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Structure and Dynamics of the Homologous Series of Alanine Peptides: A Joint Molecular Dynamics/NMR Study

✍ Scribed by Graf, Jürgen; Nguyen, Phuong H.; Stock, Gerhard; Schwalbe, Harald


Book ID
120715700
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
401 KB
Volume
129
Category
Article
ISSN
0002-7863

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We carried out NPT ensemble classical molecular dynamics simulation of water in solid, liquid and gaseous state. The simulations were performed for two density cases-normal (r ¼ 1 g/cm 3 ) and lowered density (r ¼ 0:25 g/cm 3 ), for several values of temperature. The calculated structural and dynami