Protein-protein dockings A computer method used to predict the three-dimensional shape of a complex resulting from the interaction of two or more proteins is proteinprotein docking (Figure ). Many biological functions, including enzyme activity and cellular signalling, depend critically on a knowledge of these relationships. Known examples of docking programs for protein-protein binding are HDOCK ( ), MEGA DOCK ( ), and ZDOCK ( ) to investigate these interactions. Simulating the binding interaction between proteins using the protein docking program helps one to find the best orientation and position at which the two proteins bind. In the drug development framework, the given knowledge is quite valuable as it allows the creation of molecules that specifically target protein-protein interactions and inhibit pathogenic pathways. Due to the complex design of protein-protein interactions and the broad spectrum of possible binding methods, protein docking remains a challenging task, even with significant advancement. Still, ongoing studies help to improve the accuracy and efficiency of docking methods, therefore transforming them into a powerful tool for understanding the intricate terrain of protein interactions. A protein-protein docking approach predicts two proteins' most advantageous binding modes and affinity. The figure shows the study of conformational space, the generation of docking poses, and the scoring methods used to ascertain the binding configuration most energetically favourable among the proteins engaged in the interaction ( ).