Molecular Dynamics Simulations of the Rehydration of Folded and Unfolded Cytochrome c Ions in the Vapor Phase
β Scribed by Mao, Yi; Ratner, Mark A.; Jarrold, Martin F.
- Book ID
- 126274454
- Publisher
- American Chemical Society
- Year
- 2001
- Tongue
- English
- Weight
- 210 KB
- Volume
- 123
- Category
- Article
- ISSN
- 0002-7863
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π SIMILAR VOLUMES
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
## Abstract Molecular dynamics (MD) simulations are a vital tool in chemical research, as they are able to provide an atomistic view of chemical systems and processes that is not obtainable through experiment. However, largeβscale MD simulations require access to multicore clusters or supercomputer