ε-Trimethyllysine hydroxylase (TMLH) is a homodimer enzyme that belongs to ferrous iron and 2-ketoglutarate dependent oxygenase family. Due to the lack of experimentally determined structure, the homology model of the TMLH enzyme was generated and optimized with the help of molecular dynamics. Afterwards it was used for the molecular docking calculations of the previously mentioned compounds. The developed docking protocol was successful in discriminating between active and inactive compounds.