Combining Ligand- and Structure-Based Methods for More Effective Virtual Screening
Optibrium’s dual approach yields gains in efficiency and confidence in results, as noted by Tamsin Mansley, PhD.
In drug discovery, virtual screening is a fast and cost-effective way to narrow down vast chemical libraries and identify promising hits, reducing synthesis and testing requirements while improving research efficiency.
Virtual screening serves two distinct purposes and can be categorized into two methods:
- Ligand-based virtual screening, which doesn’t require a target protein structure and instead leverages known active ligands to identify hits with similar features.
- Structure-based virtual screening.
Advances in computational power and data availability have enhanced the performance and efficiency of these methods.
Author’s summary: Effective virtual screening combines methods.