A virtual screening approach for thymidine monophosphate kinase inhibitors as antitubercular agents based on docking and pharmacophore models.
Gopalakrishnan B, Aparna V, Jeevan J, Ravi M, Desiraju GR, J Chem Inf Model, 2005 Jul-Aug - link

Computer-aided design of selective COX-2 inhibitors: comparative molecular field analysis, comparative molecular similarity indices analysis, and docking studies of some 1,2-diarylimidazole derivatives.
Desiraju GR, Gopalakrishnan B, Jetti RK, Nagaraju A, Raveendra D, Sarma JA, Sobhia ME, Thilagavathi R, J Med Chem, 2002 Oct 24 - link