2024
DOI: 10.1021/acs.jcim.3c01982
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ESSENCE-Dock: A Consensus-Based Approach to Enhance Virtual Screening Enrichment in Drug Discovery

Jochem Nelen,
Miguel Carmena-Bargueño,
Carlos Martínez-Cortés
et al.

Abstract: Drug development is a complex, costly, and timeconsuming endeavor. While high-throughput screening (HTS) plays a critical role in the discovery stage, it is one of many factors contributing to these challenges. In certain contexts, virtual screening can complement the HTS, potentially offering a more streamlined approach in the initial stages of drug discovery. Molecular docking is an example of a popular virtual screening technique that is often used for this purpose; however, its effectiveness can vary great… Show more

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