The article compares docking with high-throughput screening (HTS), showing that in many cases virtual screening using docking has had better results than HTS. Moreover, it presents some ligands that were discovered through docking.
Finally, it mentions some issues with docking like dealing with receptor flexibility, errors in scoring functions and finding promiscuous or non-drug-like inhibitors.
Shoichet, Brian K, Susan L McGovern, Binqing Wei, and John J Irwin. “Lead Discovery Using Molecular Docking.” Current Opinion in Chemical Biology 6, no. 4 (2002): 439–46.
The article compares docking with high-throughput screening (HTS), showing that in many cases virtual screening using docking has had better results than HTS. Moreover, it presents some ligands that were discovered through docking.
Finally, it mentions some issues with docking like dealing with receptor flexibility, errors in scoring functions and finding promiscuous or non-drug-like inhibitors.