Introduction
Thank you very much for purchasing CONFLEX DOCK.
CONFLEX_DOCK is a docking simulation program that predicts where a specified peptide chain will coordinate with a substrate protein to form a complex.
When making predictions, the amino acid residues of the protein are coarse-grained at representative points (Cα atoms) and a tetrahedron is constructed by Delaunay partitioning. Then, peptide residues are placed at search points set on the protein surface, and scores are evaluated based on the tetrahedral coarse-grained potentials.
[Citation]
When publishing calculation results obtained with CONFLEX DOCK in a paper or other publication, please cite the following references
T. Yamamoto, Y. Ikabata, H. Goto, “Reconstruction of Four-Body Statistical Pseudopotential for Protein-Peptide Docking”, J. Comput. Chem., Jpn.-Int. Ed., 2024, 10, 2023-0039.
T. Yamamoto, Y. Ikabata, H. Goto, “Reconstruction of Four-Body Statistical Pseudopotential for Protein-Peptide Docking”, J. Comput. Chem., Jpn.-Int. Ed., 2024, 10, 2023-0039.
