Molecular Aggregates in Aqueous Solutions of Bile Acid Salts. Molecular Dynamics Simulation Study
✍ Scribed by Pártay, Lívia B.; Jedlovszky, Pál; Sega, Marcello
- Book ID
- 120818906
- Publisher
- American Chemical Society
- Year
- 2007
- Tongue
- English
- Weight
- 395 KB
- Volume
- 111
- Category
- Article
- ISSN
- 0022-3654
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📜 SIMILAR VOLUMES
Molecular dynamics simulations for aq solutions of methyl-a-and -/3-D-glucopyranoside, galactopyranoside and talopyranoside have been carried out. A single molecule surrounded by 252 SPC water molecules was used under periodic boundary conditions. Preference for the gt and gg orientations for the hy
A series of molecular dynamics (MD) simulations have been carried out to study hydrogen bonding in aqueous ionic solutions at ambient conditions. Alkali metal and halides with different sizes have been considered. A separate study of the hydrogen bond (HB) populations in the first and second hydrati