Molecular dynamics simulations have been performed on the collision between a cesium ion and a cluster of twenty methanol molecules. This process, generating a solvated ion, was studied over a range (I to 25 eV> of eight collision energies. Preliminary analysis of this gas phase solvation has includ
RNA solvation: A molecular dynamics simulation perspective
β Scribed by Pascal Auffinger; Eric Westhof
- Publisher
- Wiley (John Wiley & Sons)
- Year
- 2000
- Tongue
- English
- Weight
- 747 KB
- Volume
- 56
- Category
- Article
- ISSN
- 0006-3525
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## Abstract Using molecular dynamics simulation, we present new results for the free energy of solvation for solvents with low dielectric constants (CCl~4~, CHCl~3~, benzene). The solvation free energy is computed as the sum of three contributions originated at the cavitation of the solute by the s