Discovery of novel inhibitors of 11beta-hydroxysteroid dehydrogenase type 1 by docking and pharmacophore modeling.
Yang H, Dou W, Lou J, Leng Y, Shen J, Bioorg Med Chem Lett, 2008 Feb 15 - link

Towards discovering dual functional inhibitors against both wild type and K103N mutant HIV-1 reverse transcriptases: molecular docking and QSAR studies on 4,1-benzoxazepinone analogues.
Zhang Z, Zheng M, Du L, Shen J, Luo X, Zhu W, Jiang H, J Comput Aided Mol Des, 2006 May - link

TarFisDock: a web server for identifying drug targets with docking approach.
Li H, Gao Z, Kang L, Zhang H, Yang K, Yu K, Luo X, Zhu W, Chen K, Shen J, Wang X, Jiang H, Nucleic Acids Res, 2006 Jul 1 - link

Molecular docking and 3D-QSAR studies on the binding mechanism of statine-based peptidomimetics with beta-secretase.
Zuo Z, Luo X, Zhu W, Shen J, Shen X, Jiang H, Chen K, Bioorg Med Chem, 2005 Mar 15 - link

Molecular docking and 3D QSAR studies on 1-amino-2-phenyl-4-(piperidin-1-yl)-butanes based on the structural modeling of human CCR5 receptor.
Xu Y, Liu H, Niu C, Luo C, Luo X, Shen J, Chen K, Jiang H, Bioorg Med Chem, 2004 Dec 1 - link

GAsDock: a new approach for rapid flexible docking based on an improved multi-population genetic algorithm.
Li H, Li C, Gui C, Luo X, Chen K, Shen J, Wang X, Jiang H, Bioorg Med Chem Lett, 2004 Sep 20 - link

Inhibitory mode of indole-2-carboxamide derivatives against HLGPa: molecular docking and 3D-QSAR analyses.
Liu G, Zhang Z, Luo X, Shen J, Liu H, Shen X, Chen K, Jiang H, Bioorg Med Chem, 2004 Aug 1 - link

Molecular docking and 3D-QSAR studies on gag peptide analogue inhibitors interacting with human cyclophilin A.
Cui M, Huang X, Luo X, Briggs JM, Ji R, Chen K, Shen J, Jiang H, J Med Chem, 2002 Nov 21 - link

Inhibitory mode of 1,5-diarylpyrazole derivatives against cyclooxygenase-2 and cyclooxygenase-1: molecular docking and 3D QSAR analyses.
Liu H, Huang X, Shen J, Luo X, Li M, Xiong B, Chen G, Shen J, Yang Y, Jiang H, Chen K, J Med Chem, 2002 Oct 24 - link

Inhibitory mode of 1,5-diarylpyrazole derivatives against cyclooxygenase-2 and cyclooxygenase-1: molecular docking and 3D QSAR analyses.
Liu H, Huang X, Shen J, Luo X, Li M, Xiong B, Chen G, Shen J, Yang Y, Jiang H, Chen K, J Med Chem, 2002 Oct 24 - link

Molecular docking and 3-D-QSAR studies on the possible antimalarial mechanism of artemisinin analogues.
Cheng F, Shen J, Luo X, Zhu W, Gu J, Ji R, Jiang H, Chen K, Bioorg Med Chem, 2002 Sep - link