Combination of pose and rank consensus in docking-based virtual screening: the best of both worlds

The use of high-throughput docking (HTD) in the drug discovery pipeline is today widely established. In spite of methodological improvements in docking accuracy (pose prediction), scoring power, ranking power, and screening power in HTD remain challenging. In fact, pose prediction is of critical imp...

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Veröffentlicht in:	RSC advances 2021-11, Vol.11 (56), p.35383-35391
Hauptverfasser:	Scardino, Valeria, Bollini, Mariela, Cavasotto, Claudio N
Format:	Artikel
Sprache:	eng
Schlagworte:	Binding sites Chemistry Docking Performance enhancement Ranking Screening
Online-Zugang:	Volltext
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