𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Polarizable Molecular Dynamics Simulations of Aqueous Dipeptides

✍ Scribed by Kucukkal, Tugba G.; Stuart, Steven J.

Book ID
118025090
Publisher
American Chemical Society
Year
2012
Tongue
English
Weight
960 KB
Volume
116
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

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

Molecular dynamics simulations of liquid
Molecular dynamics simulations of liquid methanol and methanol–water mixtures with polarizable models
✍ Haibo Yu; Daan P. Geerke; Haiyan Liu; Wilfred F. van Gunsteren πŸ“‚ Article πŸ“… 2006 πŸ› John Wiley and Sons 🌐 English βš– 476 KB

## Abstract A polarizable model for simulation of liquid methanol, compatible with the COS/G2 water model, has been developed using the Charge‐on‐Spring (COS) technique. The model consists of three point charges, with one polarizable center on the oxygen atom. The Lennard–Jones parameters on the ox