Protein-ligand docking against non-native protein conformers.
Verdonk ML, Mortenson PN, Hall RJ, Hartshorn MJ, Murray CW, J Chem Inf Model, 2008 Nov - link

Diverse, high-quality test set for the validation of protein-ligand docking performance.
Hartshorn MJ, Verdonk ML, Chessari G, Brewerton SC, Mooij WT, Mortenson PN, Murray CW, J Med Chem, 2007 Feb 22 - link

Modeling water molecules in protein-ligand docking using GOLD.
Verdonk ML, Chessari G, Cole JC, Hartshorn MJ, Murray CW, Nissink JW, Taylor RD, Taylor R, J Med Chem, 2005 Oct 6 - link

Virtual screening using protein-ligand docking: avoiding artificial enrichment.
Verdonk ML, Berdini V, Hartshorn MJ, Mooij WT, Murray CW, Taylor RD, Watson P, J Chem Inf Comput Sci, 2004 May-Jun - link

Improved protein-ligand docking using GOLD.
Verdonk ML, Cole JC, Hartshorn MJ, Murray CW, Taylor RD, Proteins, 2003 Sep 1 - link

Sensitivity of molecular docking to induced fit effects in influenza virus neuraminidase.
Birch L, Murray CW, Hartshorn MJ, Tickle IJ, Verdonk ML, J Comput Aided Mol Des, 2002 Dec - link