Full Optimization of Linear Parameters of a United Residue Protein Potential
β Scribed by Lee, Julian; Park, Kibeom; Lee, Jooyoung
- Book ID
- 126029731
- Publisher
- American Chemical Society
- Year
- 2002
- Tongue
- English
- Weight
- 314 KB
- Volume
- 106
- Category
- Article
- ISSN
- 0022-3654
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π SIMILAR VOLUMES
Based on the dipole model of peptide groups developed in our w Ε½ .x earlier work Liwo et al., Prot. Sci., 2, 1697 1993 , a cumulant expansion of the average free energy of the system of freely rotating peptide-group dipoles tethered to a fixed β£-carbon trace is derived. A graphical approach is prese
A two-stage procedure for the determination of a united-residue potential designed for protein simulations is outlined. In the first stage, the long-range and local-interaction energy terms of the total energy of a polypeptide chain are determined by analyzing proteinαcrystal data and averaging the