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Thermodynamics and Kinetics of Folding of Two Model Peptides Investigated by Molecular Dynamics Simulations

โœ Scribed by Ferrara, Philippe; Apostolakis, Joannis; Caflisch, Amedeo


Book ID
120465365
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
184 KB
Volume
104
Category
Article
ISSN
0022-3654

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Computer simulations of protein folding
โœ Philippe Ferrara; Joannis Apostolakis; Amedeo Caflisch ๐Ÿ“‚ Article ๐Ÿ“… 2000 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 362 KB ๐Ÿ‘ 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