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Molecular dynamics simulations of excimer forming (+)-anti-BPDE-DNA adducts in aqueous solution

✍ Scribed by S. Sent; A. Graslund

Book ID
118287259
Publisher
Springer
Year
1995
Tongue
English
Weight
873 KB
Volume
23
Category
Article
ISSN
1432-1017

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Molecular dynamics simulations of glycos
Molecular dynamics simulations of glycosides in aqueous solution
✍ Norman W.H. Cheetham; King Lam πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 602 KB

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