Computer Simulations of Globular Protein Folding and Tertiary Structure
β Scribed by Skolnick, J; Kolinski, A
- Book ID
- 118040615
- Publisher
- Annual Reviews
- Year
- 1989
- Tongue
- English
- Weight
- 660 KB
- Volume
- 40
- Category
- Article
- ISSN
- 0066-426X
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## Abstract The xβray crystal structures of 19 selected proteins are examined empirically for correlations between the amino acid sequence and longβrange, __tertiary__ conformation. There is clear evidence for preferential associations of certain types of amino acids, particularly among the hydroph
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