## 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
✦ LIBER ✦
Implicit Solvent Simulations of DNA and DNA−Protein Complexes: Agreement with Explicit Solvent vs Experiment
✍ Scribed by Chocholoušová, Jana; Feig, Michael
- Book ID
- 120024825
- Publisher
- American Chemical Society
- Year
- 2006
- Tongue
- English
- Weight
- 390 KB
- Volume
- 110
- Category
- Article
- ISSN
- 0022-3654
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Solvent models for protein–ligand bindin
✍
Linda Yu Zhang; Emilio Gallicchio; Richard A. Friesner; Ronald M. Levy
📂
Article
📅
2001
🏛
John Wiley and Sons
🌐
English
⚖ 247 KB
👁 1 views
Discrimination between native and intent
✍
Yury N. Vorobjev; Juan Carlos Almagro; Jan Hermans
📂
Article
📅
1998
🏛
John Wiley and Sons
🌐
English
⚖ 179 KB
👁 3 views
A new method for calculating the total conformational free energy of proteins in water solvent is presented. The method consists of a relatively brief simulation by molecular dynamics with explicit solvent (ES) molecules to produce a set of microstates of the macroscopic conformation. Conformational