Sex_Hormone_Receptors_and_Their_Physical_Interaction_with_Sonic_Hedgehog_Protein-dataset

This dataset includes initial complex structures (acquired through a protein-protein docking study conducted by the Hdock server, denoted by the 'start' suffix at the end of the respective name of the complex) used for the study of sex hormone receptors (estrogen receptor alpha (ERalpha), androgen receptor (AR), and progesterone receptor (PR)) and their physical interaction with the mature form of the Sonic Hedgehog protein (SHH-N). These structures were subjected to robust MD simulations. The final optimized structures, with indicated simulation time in nanoseconds (appended as a suffix at the end of the respective name of the complex) are also provided.