𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A New 2,2,2-Trifluoroethanol Model for Molecular Dynamics Simulations

✍ Scribed by Fioroni, Marco; Burger, Klaus; Mark, Alan E.; Roccatano, Danilo

Book ID
127370044
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
199 KB
Volume
104
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Parameterization of Ca+2–protein interac
Parameterization of Ca+2–protein interactions for molecular dynamics simulations
✍ Elad Project; Esther Nachliel; Menachem Gutman πŸ“‚ Article πŸ“… 2008 πŸ› John Wiley and Sons 🌐 English βš– 448 KB

## Abstract Molecular dynamics simulations of Ca^+2^ ions near protein were performed with three force fields: GROMOS96, OPLS‐AA, and CHARMM22. The simulations reveal major, force‐field dependent, inconsistencies in the interaction between the Ca^+2^ ions with the protein. The variations are attrib