Computer Simulation of Urea−Water Mixtures: A Test of Force Field Parameters for Use in Biomolecular Simulation
✍ Scribed by Smith, Lorna J.; Berendsen, Herman J. C.; van Gunsteren, Wilfred F.
- Book ID
- 118735834
- Publisher
- American Chemical Society
- Year
- 2004
- Tongue
- English
- Weight
- 81 KB
- Volume
- 108
- Category
- Article
- ISSN
- 0022-3654
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Potentials of mean force ( PMFs) and solvation properties of SKI2 in polarizable water have been studied using molecular dynamics simulations. The PMF between isolated S?' and Cl-ions involves a stable contact ion-pair state with a binding free energy of -1.8 kcal/mol and a dissociation barrier of 3
When analyzing computer simulations of mixtures of lipids and water, the questions to be answered are often of a morphological nature. They can deal with global properties, like the kind of phase that is adopted or the presence or absence of certain key features like a pore or stalk, or with local p