Virtual screening and fast automated docking methods

Gisbert Schneider, Hans-Joachim Böhm
2002 Drug Discovery Today  
Recent advances in high-throughput protein structure determination and in computational chemistry have refocussed attention on virtual screening and fast automated docking methods. This review provides a brief introduction to the basic ideas and outlines computational tools currently used. We also provide several examples of where virtual screening has proved successful, highlighting the usefulness of the approach.
doi:10.1016/s1359-6446(01)02091-8 pmid:11790605 fatcat:uvtu2kyj3bhypa3h6o4lyewunu