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

Comparing protein-ligand docking programs is difficult.
Cole JC, Murray CW, Nissink JW, Taylor RD, Taylor R, Proteins, 2005 Aug 15 - 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

New approach to molecular docking and its application to virtual screening of chemical databases
Baxter CA, Murray CW, Waszkowycz B, Li J, Sykes RA, Bone RG, Perkins TD, Wylie W, J Chem Inf Comput Sci, 2000 Mar - link

The sensitivity of the results of molecular docking to induced fit effects: application to thrombin, thermolysin and neuraminidase.
Murray CW, Baxter CA, Frenkel AD, J Comput Aided Mol Des, 1999 Nov - link

Flexible docking using Tabu search and an empirical estimate of binding affinity.
Baxter CA, Murray CW, Clark DE, Westhead DR, Eldridge MD, Proteins, 1998 Nov 15 - link

A comparison of heuristic search algorithms for molecular docking.
Westhead DR, Clark DE, Murray CW, J Comput Aided Mol Des, 1997 May - link