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Conformational and Dynamical Properties of Disaccharides in Water: a Molecular Dynamics Study

✍ Scribed by Pereira, Cristina S.; Kony, David; Baron, Riccardo; Müller, Martin; van Gunsteren, Wilfred F.; Hünenberger, Philippe H.

Book ID
119920251
Publisher
Biophysical Society
Year
2006
Tongue
English
Weight
193 KB
Volume
90
Category
Article
ISSN
0006-3495

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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