We have performed 128 folding and 45 unfolding molecular dynamics runs of chymotrypsin inhibitor 2 (CI2) with an implicit solvation model for a total simulation time of 0.4 microseconds. Folding requires that the three-dimensional structure of the native state is known. It was simulated at 300 K by
✦ LIBER ✦
Molecular graphics for protein folding simulations
✍ Scribed by A. Caflisch; M. Kündig; Y. Lehareinger; P. Niederer
- Publisher
- Elsevier Science
- Year
- 1991
- Tongue
- English
- Weight
- 146 KB
- Volume
- 9
- Category
- Article
- ISSN
- 0263-7855
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