𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Effects of long-range interactions in zeolite-like systems: interaction energies and self-diffusion coefficient of water in ferrierite from molecular dynamics simulation

✍ Scribed by L. Leherte; J.-M. Andre; D.P. Vercauteren; E.G. Derouane


Publisher
Elsevier Science
Year
1989
Weight
896 KB
Volume
54
Category
Article
ISSN
0304-5102

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Structure and dynamics of liquid water w
✍ Pekka Mark; Lennart Nilsson πŸ“‚ Article πŸ“… 2002 πŸ› John Wiley and Sons 🌐 English βš– 124 KB

We have used molecular dynamics simulations to study the physical properties of modified TIP3P water model included in the CHARMM program, using four different methods-the Ewald summation technique, and three different spherical truncation methods-for the treatment of the long-range interactions. Bo

Effect of different treatments of long-r
✍ Arnau CordomΓ­; Olle Edholm; Juan J. Perez πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 227 KB

## Abstract The present study analyzes the effect of the simulation conditions on the results of molecular dynamics simulations of G‐protein coupled receptors (GPCRs) performed with an explicit lipid bilayer. Accordingly, the present work reports the analysis of different simulations of bovine rhod