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An Algorithm for Computing Side Chain Conformational Variations of a Protein Tunnel/Channel.

Udeok Seo1, Ku-Jin Kim2, Beom Sik Kang3

  • 13D Convergence Technology Center, 70 Dongnaero, Donggu, Daegu 41061, Korea. power88a@naver.com.

Molecules (Basel, Switzerland)
|September 29, 2018
PubMed
Summary

This study introduces a new method for calculating protein side chain variations in tunnels, enabling prediction of ligand passage size through flexible protein structures.

Keywords:
channelconformationflexibilityprotein moleculeside chain rotamertunnelvisualization

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