Searching New Antiparasitics in Virtual Space
Frank Oellien, Kristin Engels, Jörg Cramer, Richard J. Marhöfer, Christopher Kern, Paul M. Selzer · 2009
This chapter contains sections titled: Virtual Screening – an Introduction High-Throughput Docking HTD in Antiparasitics Defining and Preparing the Virtual Space Docking and Scoring – The HTD Core Functionalities Re- and Cross-Docking – Finding the Optimal Docking/Scoring Parameters Post-Processing – Re-Scoring, Normalization, and Ranking Conclusion Acknowledgement References