Computer simulations of protein folding
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Philippe Ferrara; Joannis Apostolakis; Amedeo Caflisch
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Article
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2000
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John Wiley and Sons
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English
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๐ 3 views
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