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
ChemInform Abstract: Molecular Dynamics Simulations of the Protein Unfolding/Folding Reaction
โ Scribed by Valerie Daggett
- Publisher
- John Wiley and Sons
- Year
- 2010
- Weight
- 24 KB
- Volume
- 33
- Category
- Article
- ISSN
- 0931-7597
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