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Molecular dynamics study of kaliotoxin in water

✍ Scribed by Josep Canto; Yolanda Fernandez; Miquel Pons; Ernest Giralt; Juan J Perez


Book ID
117314867
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
210 KB
Volume
24
Category
Article
ISSN
0141-8130

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Structure and dynamics of water—molecula
✍ 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