Molecular-docking-guided design, synthesis, and biologic evaluation of radioiodinated quinazolinone prodrugs.
Chen K, Aowad AF, Adelstein SJ, Kassis AI, J Med Chem, 2007 Feb 22 - link

Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation.
Cai J, Han C, Hu T, Zhang J, Wu D, Wang F, Liu Y, Ding J, Chen K, Yue J, Shen X, Jiang H, Protein Sci, 2006 Sep - 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

Binding investigation of human 5-lipoxygenase with its inhibitors by SPR technology correlating with molecular docking simulation.
Du L, Zhang Z, Luo X, Chen K, Shen X, Jiang H, J Biochem, 2006 Apr - link

Essential structural profile of a dual functional inhibitor against cyclooxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX): molecular docking and 3D-QSAR analyses on DHDMBF analogues.
Zheng M, Zhang Z, Zhu W, Liu H, Luo X, Chen K, Jiang H, Bioorg Med Chem, 2006 May 15 - 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

Elucidating inhibitory models of the inhibitors of epidermal growth factor receptor by docking and 3D-QSAR.
Chen G, Luo X, Zhu W, Luo C, Liu H, Puah CM, Chen K, Jiang H, Bioorg Med Chem, 2004 May 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

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