This example is taken from a project in which screening of a diverse library resulted in hits from multiple chemistries. Without the resources to follow-up all of the hit chemistries, the project team wished to focus on a small number of series which were most likely to yield high quality leads with appropriate physicochemical and ADME properties.
This peer-reviewed article, published in the Journal of Medicinal Chemistry, describes how identifying sensitive criteria can highlight new avenues for exploration, and assist us in avoiding missed opportunities
Virtual screening presents a host of challenges, especially where little or no structural information on targets is available. So how can we best set our screening strategies up for success?
In this demo we look at how it’s possible to use the Derek Nexus module with StarDrop to guide the design of…
