Molecular docking identifies the binding of 3-chloropyridine moieties specifically to the S1 pocket of SARS-CoV Mpro.
Niu C, Yin J, Zhang J, Vederas JC, James MN, Bioorg Med Chem, 2008 Jan 1 - link

Rational design based on bioactive conformation analysis of pyrimidinylbenzoates as acetohydroxyacid synthase inhibitors by integrating molecular docking, CoMFA, CoMSIA, and DFT calculations.
He YZ, Li YX, Zhu XL, Xi Z, Niu C, Wan J, Zhang L, Yang GF, J Chem Inf Model, 2007 Nov-Dec - 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