Development and Evaluation of a Fully Automated Docking Pipeline for Virtual Screening
The search for novel drugs with computer support is a complicated and multi-layered process in which specially developed programs are used to assist. Several programs for this application have already been developed at ZBH and will be combined into a completely automated workflow that can be used by both experts and novices. In addition, a new scoring function optimized for Virtual Screening will be developed. The developed software will be constantly tested and evaluated on real projects.