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Protein-Folding Dynamics: Overview of Molecular Simulation Techniques

โœ Scribed by Scheraga, Harold A.; Khalili, Mey; Liwo, Adam


Book ID
118053399
Publisher
Annual Reviews
Year
2007
Tongue
English
Weight
231 KB
Volume
58
Category
Article
ISSN
0066-426X

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๐Ÿ“œ SIMILAR VOLUMES


Protein-Folding Dynamics: Overview of Mo
โœ Scheraga, Harold A.; Khalili, Mey; Liwo, Adam ๐Ÿ“‚ Article ๐Ÿ“… 2007 ๐Ÿ› Annual Reviews ๐ŸŒ English โš– 231 KB

Molecular dynamics (MD) is an invaluable tool with which to study protein folding in silico. Although just a few years ago the dynamic behavior of a protein molecule could be simulated only in the neighborhood of the experimental conformation (or protein unfolding could be simulated at high temperat

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