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Computed Free energy differences between point mutations in a collagen-like peptide

โœ Scribed by Sean D. Mooney; Conrad C. Huang; Peter A. Kollman; Teri E. Klein


Book ID
101335573
Publisher
Wiley (John Wiley & Sons)
Year
2001
Tongue
English
Weight
154 KB
Volume
58
Category
Article
ISSN
0006-3525

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Computational investigations of structur
โœ Teri E. Klein; Conrad C. Huang ๐Ÿ“‚ Article ๐Ÿ“… 1999 ๐Ÿ› Wiley (John Wiley & Sons) ๐ŸŒ English โš– 503 KB

The results of 0.5-1.0 ns molecular dynamics simulations of the collagen-like peptides [(POG) 4 (POA)(POG) 4 ] 3 and [(POG) 9 ] 3 (POG: proline-hydroxyproline-glycine) are presented.\* All simulations were performed using the AMBER-94 molecular mechanical force field with a shell of TIP3P waters sur