Docking-based Inverse Virtual Screening Approach

Docking-based inverse virtual screening (IVS) has attracted much attention in the drug discovery field, due to its applications in target identification, drug repositioning, and side effects/toxicity prediction. First, molecular docking methods and protein target database were introduced in details. Then, currently available web servers were briefly reviewed. A number of applications in the field of drug design were also presented. Finally, challenges of the methods were discussed.