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Molecular Dynamics Simulation of Protein Folding by Essential Dynamics Sampling: Folding Landscape of Horse Heart Cytochrome c

โœ Scribed by Daidone, Isabella; Amadei, Andrea; Roccatano, Danilo; Nola, Alfredo Di


Book ID
118515456
Publisher
Biophysical Society
Year
2003
Tongue
English
Weight
314 KB
Volume
85
Category
Article
ISSN
0006-3495

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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