AutoGrow (Java DOCK), uses fragment-based growing, docking, and evolutionary techniques.Due in part to the increasing availability of crystallographic protein structures as well as rapid improvements in computer power, the past few decades have seen an explosion in the field of computer-based rational drug design. Several algorithms have been developed to identify or generate potential ligands in silico by optimizing the ligand-receptor hydrogen bond, electrostatic, and hydrophobic interactions.
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Durrant, J. D.; Amaro, R. E.; McCammon, J. A. 2009.
AutoGrow: A Novel Algorithm for Protein Inhibitor Design
Chemical Biology & Drug Design. 73(2):168-78.