Structure-Based Virtual Screening

Ranks an enormous library of candidate compounds by predicted binding strength against a target structure, computationally narrowing thousands or millions of candidates down to a small, testable shortlist.

References

• Kitchen, D.B., Decornez, H., Furr, J.R., Bajorath, J. "Docking and Scoring." Nature Reviews Drug Discovery 3, no. 11 (2004): 935–949.