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Simultaneous and coupled energy optimization of homologous proteins: a new tool for structure prediction

✍ Scribed by Chen Keasar; Ron Elber; Jeffrey Skolnick


Book ID
114382633
Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
206 KB
Volume
2
Category
Article
ISSN
1359-0278

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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