How to perform fast and accurate 3D ligand-based affinity predictions
Binding affinity prediction continues to be a challenge in computer-aided drug design, especially in the absence of a high-quality target…
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?
Watch this webinar hosted by Matthew Segall and Peter Hunt to learn how StarDrop applies different methods to enable successful virtual screening. We demonstrate:
- Single versus multi-ligand hypotheses for searching
- Speedy versus exhaustive searching – what’s the best balance?
- Are inactives useful in virtual screening?
- Judging the success of a virtual screen
- Combinations and consensus between methods as an option for diversity
- It’s not all about activity – the importance of finding high-quality starting points
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