A new peptide docking strategy using a mean field technique with mutually orthogonal Latin square sampling

Abstract

The theoretical prediction of the association of a flexible ligand with a protein receptor requires efficient sampling of the conformational space of the ligand. Several docking methodologies are currently available. We propose a new docking technique that performs well at low computational cost. The method uses mutually orthogonal Latin squares to… (More)
DOI: 10.1007/s10822-008-9216-5

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