𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Solvation Model Based on Weighted Solvent Accessible Surface Area

✍ Scribed by Wang, Junmei; Wang, Wei; Huo, Shuanghong; Lee, Matthew; Kollman, Peter A.

Book ID
126188051
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
71 KB
Volume
105
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Comparison of predicted native structure
Comparison of predicted native structures of Met-enkephalin based on various accessible-surface-area solvent models
✍ Lixin Zhan; Jeff Z. Y. Chen; Wing-Ki Liu πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 183 KB

## Abstract We examine the variation and similarity of the native structures predicted from various accessible‐surface‐area solvent models for peptide Met‐enkephalin. Both ECEPP/2 and ECEPP/3 force fields have been used in conjunction with ten different sets of accessible‐surface‐area parameterizat

Modeling hydrophobic solvation of nonsph
Modeling hydrophobic solvation of nonspherical systems: Comparison of use of molecular surface area with accessible surface area
✍ Hermann, Robert B. πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 237 KB πŸ‘ 2 views

It is shown that the molecular surface and the accessible surface lead to exactly the same results when calculating solvation free energies and transfer free energies, from methods using the surface tension as a parameter if the exact geometric curvature is used with the accessible surface. However,

On the precision of calculated solvent-a
On the precision of calculated solvent-accessible surface areas
✍ Novotny, Marian ;Seibert, Marvin ;Kleywegt, Gerard J. πŸ“‚ Article πŸ“… 2007 πŸ› International Union of Crystallography 🌐 English βš– 243 KB

The fact that protein structures are dynamic by nature and that structure models determined by X-ray crystallography, electron microscopy (EM) and nuclear magnetic resonance (NMR) spectroscopy have limited accuracy limits the precision with which derived properties can be reported. Here, the issue o