A direct attack on the protein-folding problem has been initiated with the free energy perturbation methods of molecular dynamics. The complete conformational probability map for the alanine dipeptide is presented. This work uses the SPC model for the explicit hydration of the dipeptide. Free energy
✦ LIBER ✦
Molecular Dynamics Simulation of the Hydration of the Alanine Dipeptide
✍ Scribed by Kalko, S. G.; Guàrdia, E.; Padró, J. A.
- Book ID
- 121247110
- Publisher
- American Chemical Society
- Year
- 1999
- Tongue
- English
- Weight
- 149 KB
- Volume
- 103
- Category
- Article
- ISSN
- 0022-3654
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