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