CONFLEX DOCK
By adopting a coarse-grained model and a four-body potential, we significantly reduce computational costs and achieve fast evaluations.
CONFLEX DOCK is a docking simulation program that predicts where a specified peptide chain will position itself and form a complex with the target protein. It coarse-grains the protein and peptide by amino acid residues and evaluates the affinity between the protein and peptide using a four-body potential. The target protein is coarse-grained with the Cα atoms of the amino acid residues as representative points, and exploration points are placed on its surface. Amino acids are arranged according to the sequence of the peptide at the exploration points, and scores are evaluated using the four-body potential.
- Company：コンフレックス
- Price：Other
