Computational structure-based screening

Zeng, J. Mini-review computational structure-based design of inhibitors that target protein surfaces. Comb. Chem. High Throughput Screen. 2000, 3, 355-362. 

Filikov AV, Mohan V, Vickers TA, Griffey RH, Cook PD, Abagyan RA, James TL. Identification of ligands for RNA targets via structure-based virtual screening HIV-1 TAR. / Comput Aided Mol Design 2000 14 593-610. 

Nikolovska-Coleska Z, Xu L, Hu Z, et al. Discovery of embelin as a cell-permeable, small-molecular weight inhibitor of XIAP through structure-based computational screening of a traditional herbal medicine three-dimensional structure database. J Med Chem 2004 47 2430-2440. 

D. Inhibitors of kinesin activity from structure-based computer screening. Biochemistry. 2000, 39, 2805-2814. 

---