We propose an empirical method for evaluating the potential of Ε½ . mean force pmf of solute molecules in water by modifying the solvent-Ε½ . accessible surface SAS method described by Eisenberg et al. We re-evaluated the SAS energy for each united atom composing the solute. We took into account the e
The potential of mean force of water and ions in aquaporin channels investigated by the 3D-RISM method
β Scribed by Saree Phongphanphanee; Norio Yoshida; Fumio Hirata
- Publisher
- Elsevier Science
- Year
- 2009
- Tongue
- English
- Weight
- 1019 KB
- Volume
- 147
- Category
- Article
- ISSN
- 0167-7322
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