High Throughput Docking As A Virtual Screening Tool

It is clear from the studies discussed above that there is no universal solution to high throughput docking and methods should be tailored to the target of interest and according to what is expected from the docking experiment. Constraints, consensus scoring, knowledge-based processing and the incorporation of flexibility are all approaches aimed at improving the performance of virtual screening using high throughput docking. Pre- and post-processing are very important aspects of the experiment with the concept of a screening cascade already mentioned. There are also other approaches to searching compound databases for protein kinase inhibitors either as part of a cascade or as stand-alone tools.

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