Docking to single-domain and multiple-domain proteins: old and new challenges

E Ben-Zeev1, N Kowalsman, A Ben-Shimon

  • 1Department of Biological Chemistry, Weizmann Institute of Science, Rehovot, Israel.

Proteins
|June 28, 2005
PubMed
Summary

The MolFit program shows high sensitivity for protein-ligand docking, accurately predicting structures with minor changes. However, its selectivity needs improvement for NMR or modeled structures and complex scenarios involving domain movements.

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