Structural determinants of species-selective substrate recognition in human and Drosophila serotonin transporters revealed through computational docking studies.
Kaufmann KW, Dawson ES, Henry LK, Field JR, Blakely RD, Meiler J, Proteins, 2009 Feb 15 - link

ROSETTALIGAND: protein-small molecule docking with full side-chain flexibility.
Meiler J, Baker D, Proteins, 2006 Nov 15 - link