𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Improving Implicit Solvent Models with Differential Geometry

✍ Scribed by Thomas, Dennis G.; Chun, Jaehun; Baker, Nathan A.


Book ID
119210169
Publisher
Biophysical Society
Year
2012
Tongue
English
Weight
61 KB
Volume
102
Category
Article
ISSN
0006-3495

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

Implicit solvent models: Combining an an
✍ Wagner, FranοΏ½ois; Simonson, Thomas πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 333 KB πŸ‘ 2 views

The recent development of approximate analytical formulations of continuum electrostatics opens the possibility of efficient and accurate implicit Ε½ solvent models for biomolecular simulations. One such formulation ACE, .

Improved ab Initio predictions with a si
✍ D.J. Osguthorpe πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 390 KB πŸ‘ 2 views

Structure predictions for nine targets from the CASP3 meeting are presented and compared with the experimental structure. These predictions are made using the simplified flexible geometry representation of protein structure and potentials which mimic the physical forces involved in protein folding w

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