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All-atom chain-building by optimizing MODELLER energy function using conformational space annealing.

Keehyoung Joo1, Jinwoo Lee, Joo-Hyun Seo

  • 1School of Computational Sciences, Korea Institute for Advanced Study, Seoul 130-722, Korea.

Proteins
|December 18, 2008
PubMed
Summary

Rigorous optimization of the MODELLER energy function using conformational space annealing (CSA) significantly improves protein side-chain modeling accuracy. This MODELLERCSA method outperforms standard MODELLER and other strategies for accurate all-atom model generation.

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