Most of the proteins in plants and animals have a homo or hetero- multimeric structures. Although many softwares are being used for docking of protein as well as ligand molecules, protein protein docking still remains a challenging task.
In their recent article, Krupa P. et. al. (2021) have used replica- exchange molecular dynamics (MREMD) simulations to address this problem of docking. It has not only solved some of the protein-protein docking problems but also has speeded up the entire process.
The package is available at UNRES server: http://unres-server.chem.ug.edu.pl; UNRES package and data used in testing of UNRES-Dock is available at: http://unres.pl
Reference:
Krupa P. et. al. (2021) UNRES-Dock—protein–protein and peptide–protein docking by coarse-grained replica-exchange MD simulations. Bioinformatics 37(11):1613-1615.