A Protein-Peptide Docking Program with Modeling Receptor Flexible Areas

Predicting the structure of protein-peptide complexes using computational approaches is a difficult problem whose major challenges are properly dealing with molecular flexibility and conformational changes both of the receptor and ligand. Although significant improvements have been achieved in the modeling of side chains, methods for the backbone flexibility in docking still need improvement. In this study a new method is presented for docking peptide into receptor in a full flexible docking manner. It is a parallel approach that combines all the processes during the docking of a folding peptide with a flexible receptor.