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
Computer simulation of protein folding
โ Scribed by Levitt, Michael; Warshel, Arieh
- Book ID
- 109694501
- Publisher
- Nature Publishing Group
- Year
- 1975
- Tongue
- English
- Weight
- 542 KB
- Volume
- 253
- Category
- Article
- ISSN
- 0028-0836
- DOI
- 10.1038/253694a0
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