Combining Ligand- and Structure-Based Methods for More Effective Virtual Screening
By Tamsin Mansley, PhD
In drug discovery, virtual screening is a fast and cost-effective way of narrowing down vast chemical libraries to identify the most promising hits, reducing synthesis and testing requirements while improving research efficiency.
Virtual screening serves two distinct purposes and can be categorized into two main methods: ligand- and structure-based.
Ligand-Based Virtual Screening
Ligand-based virtual screening doesn’t require a target protein structure. Instead, it leverages known active ligands to identify hits that show similar structural or pharmacophoric features.
Advances in computational power and data availability have enhanced the performance and efficiency of these methods, increasing their adoption and furthering their impact in discovery workflows.
Optibrium’s dual approach yields gains in efficiency and confidence in results.
Optibrium’s dual approach yields gains in efficiency and confidence in results
Author’s summary: Improved virtual screening methods for drug discovery.
More News
- The Best Fashion From LACMA's 14th Art + Film Gala
- Jay Glazer says Eagles won't trade A.J. Brown, are interested in Jaelan Phillips | NorthPennNow
- Barcelona v Elche live: La Liga text updates, stats, goals
- From stereotypes to innovation: How young researchers are changing the conversation | Opinion | Research live
- University of Alabama Investigating Alleged Incident Involving Dre Kirkpatrick Jr.
- Southampton sack Will Still after dismal start to Championship campaign