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Protein Structure Prediction by Global Optimization of a Potential Energy Function

✍ Scribed by Adam Liwo, Jooyoung Lee, Daniel R. Ripoll, Jaroslaw Pillardy and Harold A. Scheraga

Book ID
123641999
Publisher
National Academy of Sciences
Year
1999
Tongue
English
Weight
998 KB
Volume
96
Category
Article
ISSN
0027-8424

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A novel hierarchical approach to protein folding has been applied to compute the unknown structures of seven target proteins provided by CASP3. The approach is based exclusively on the global optimization of a potential energy function for a united-residue model by conformational space annealing, fo

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A protein energy surface is constructed. Validation is through applications of global energy minimization to surface loops of protein crystal structures. For 9 of 10 predictions, the native backbone conformation is identified correctly. Electrostatic energy is modeled as a pairwise sum of interactio