𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Molecular dynamics simulations of liquid water using various long-range electrostatics techniques

✍ Scribed by English *, Niall J.


Book ID
120552291
Publisher
Taylor and Francis Group
Year
2005
Tongue
English
Weight
448 KB
Volume
103
Category
Article
ISSN
0026-8976

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


MOLECULAR DYNAMICS SIMULATIONS OF BIOMOL
✍ Sagui, Celeste; Darden, Thomas A. πŸ“‚ Article πŸ“… 1999 πŸ› Annual Reviews 🌐 English βš– 209 KB

β–ͺ Abstract  Current computer simulations of biomolecules typically make use of classical molecular dynamics methods, as a very large number (tens to hundreds of thousands) of atoms are involved over timescales of many nanoseconds. The methodology for treating short-range bonded and van der Waals int

Molecular dynamics simulations of water
✍ Mahfoud Belhadj; Howard E. Alper; Ronald M. Levy πŸ“‚ Article πŸ“… 1991 πŸ› Elsevier Science 🌐 English βš– 713 KB

The use of a partial charge version of the Ewald sum method to treat long range electrostatic interactions in molecular dynamics simulations of water has been investigated. The orientational structure and energetic properties of the liquid have been studied for several choices of Ewald sum parameter

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