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Browsing by Author Fang, Qiaojun

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  • Thesis


  • Authors: Fang, Qiaojun (2006)

  • Based on the hypothesis that local interactions play an important role in specifying long-range structures, a consistent set of statistical potentials containing 4 energy terms for quantifying local side-chain and backbone interactions are calculated from high-resolution crystal structures. The combined energy function, containing no interactions between atoms more than four residues apart, identifies the correct structural fragment for randomly selected 15 mers over 40% of the time, after searching through 232,000 alternative conformations. For 14 out of 20 sets of all-atom Rosetta decoys analyzed, the native structure has a combined score lower than any of the 17001900 decoy conform...