Molecular Docking Screens Using Comparative Models of Proteins.
Fan H, Irwin JJ, Webb BM, Klebe G, Shoichet BK, Sali A, J Chem Inf Model, 2009 Oct 21 - link

Docking and chemoinformatic screens for new ligands and targets.
Kolb P, Ferreira RS, Irwin JJ, Shoichet BK, Curr Opin Biotechnol, 2009 Aug - link

Automated docking screens: a feasibility study.
Irwin JJ, Shoichet BK, Mysinger MM, Huang N, Colizzi F, Wassam P, Cao Y, J Med Chem, 2009 Sep 24 - link

Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase.
Babaoglu K, Simeonov A, Irwin JJ, Nelson ME, Feng B, Thomas CJ, Cancian L, Costi MP, Maltby DA, Jadhav A, Inglese J, Austin CP, Shoichet BK, J Med Chem, 2008 Apr 24 - link

Benchmarking sets for molecular docking.
Huang N, Shoichet BK, Irwin JJ, J Med Chem, 2006 Nov 16 - link

Predicting substrates by docking high-energy intermediates to enzyme structures.
Hermann JC, Ghanem E, Li Y, Raushel FM, Irwin JJ, Shoichet BK, J Am Chem Soc, 2006 Dec 13 - link

Here be dragons: docking and screening in an uncharted region of chemical space.
Brenk R, Irwin JJ, Shoichet BK, J Biomol Screen, 2005 Oct - link

A molecular docking strategy identifies Eosin B as a non-active site inhibitor of protozoal bifunctional thymidylate synthase-dihydrofolate reductase.
Atreya CE, Johnson EF, Irwin JJ, Dow A, Massimine KM, Coppens I, Stempliuk V, Beverley S, Joiner KA, Shoichet BK, Anderson KS, J Biol Chem, 2003 Apr 18 - link

Lead discovery using molecular docking.
Shoichet BK, McGovern SL, Wei B, Irwin JJ, Curr Opin Chem Biol, 2002 Aug - link