Similarity Based Docking
J. Marialke, Simon Tietze, Joannis Apostolakis · Journal of Chemical Information and Modeling · 2007
We have recently introduced GMA, a highly efficient method for flexible molecular alignment. Here we show how this approach can be used to improve docking accuracy and efficiency, in cases where a complex structure of a ligand with the target protein is known. In cases where a known ligand exists, yet the complex structure is unknown it is possible to make use of the advantages offered by this approach, by combining it with standard ligand docking.