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Molecular dynamics study of hyaluronic acid in water

✍ Scribed by Jörn Kaufmann; Kerstin Möhle; Hans-Jörg Hofmann; Klaus Arnold


Book ID
114142572
Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
872 KB
Volume
422
Category
Article
ISSN
0166-1280

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✍ M. Sokół; A. Dawid; Z. Dendzik; Z. Gburski 📂 Article 📅 2004 🏛 Elsevier Science 🌐 English ⚖ 248 KB

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