𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Parametrization of a Generalized Born/Solvent-Accessible Surface Area Model and Applications to the Simulation of Protein Dynamics

✍ Scribed by Zhu, Jiang; Shi, Yunyu; Liu, Haiyan


Book ID
120280033
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
150 KB
Volume
106
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Solvent models for protein–ligand bindin
✍ Linda Yu Zhang; Emilio Gallicchio; Richard A. Friesner; Ronald M. Levy πŸ“‚ Article πŸ“… 2001 πŸ› John Wiley and Sons 🌐 English βš– 247 KB πŸ‘ 1 views

## Abstract Solvent effects play a crucial role in mediating the interactions between proteins and their ligands. Implicit solvent models offer some advantages for modeling these interactions, but they have not been parameterized on such complex problems, and therefore, it is not clear how reliable

Molecular dynamics simulations of ionic
✍ Yuhang Wang; Jason A. Wallace; Peter H. Koenig; Jana K. Shen πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 362 KB πŸ‘ 1 views

## Abstract In recent years, all‐atom and coarse‐grained models have been developed andapplied to simulations of micelles and biological membranes. Here, we explorethe question of whether a combined all‐atom representation of surfactantmolecules and continuum description of solvent based on the gen

The generalized Born/volume integral imp
✍ Paul Labute πŸ“‚ Article πŸ“… 2008 πŸ› John Wiley and Sons 🌐 English βš– 197 KB

## Abstract A new generalized Born model for estimating the free energy of hydration is presented. The new generalized Born/volume integral (GB/VI) estimates the free energy of hydration as a classical electrostatic energy plus a cavitation energy that is not based upon atomic surface area (SA) use