Articles with "rescoring virtual" as a keyword



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Refinement and Rescoring of Virtual Screening Results

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Published in 2019 at "Frontiers in Chemistry"

DOI: 10.3389/fchem.2019.00498

Abstract: High-throughput docking is an established computational screening approach in drug design. This methodology enables a rapid identification of biologically active hit compounds, providing an efficient and cost-effective complement or alternative to experimental high-throughput screenings. However,… read more here.

Keywords: virtual screening; methodology; refinement rescoring; post docking ... See more keywords