𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Incorporating Hydration Force Determined by Boundary Element Method into Stochastic Dynamics

✍ Scribed by Wang, Cun Xin; Wan, Shun Zhou; Xiang, Zhe Xin; Shi, Yun Yu

Book ID
127390836
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
178 KB
Volume
101
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Stochastic dynamics simulation of alanin
Stochastic dynamics simulation of alanine dipeptide: Including solvation interaction determined by boundary element method
✍ Wan, Shun Zhou; Wang, Cun Xin; Xiang, Zhe Xin; Shi, Yun Yu πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 226 KB πŸ‘ 1 views

A merger of the Poisson᎐Boltzmann equation and stochastic dynamics simulation is examined using illustrative calculations of alanine Ž . dipeptide. The boundary element method BEM is used to calculate the hydration forces acting on the solute molecule based on the surroundings. Computational efficie