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Protein Science Encyclopedia (online) || Molecular Dynamics Simulations to Study Protein Folding and Unfolding

โœ Scribed by Fersht, Alan R.


Book ID
120976497
Publisher
Wiley-VCH Verlag GmbH & Co. KGaA
Year
2008
Weight
729 KB
Volume
10.1002/9783527610754
Category
Article
ISBN-13
9783527610754

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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