High-throughput fragment-based docking

Our Approach to High-Throughput Fragment-Based Docking... 

Figure 17.2 Low micromolar inhibitors discovered by high-throughput fragment-based docking into 3-secretase (compounds 1 and 2), plasmepsin II (3), West Nile virus NS3 protease (4 and S),cathepsin B (6), EphB4tyrosine kinase...

Kolb, P., and Caflisch, A. (2006). Automatic and efficient decomposition of two-dimensional structures of small molecules for fragment-based high-throughput docking. Journal of Medicinal Chemistry 49, 7384-7392. 

O. (2009) Docking, virtual high throughput screening and in sdico fragment-based drug design. Journal of Cellular and Molecular Medicine, 13, 238-248. 

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