Journal of Computer-Aided Molecular Design· 2012Q2
Variability in docking success rates due to dataset preparation
- 472citations
- Q2SCImago
- 2012year
Short summary
A 0.5 kcal/mol error in dataset preparation can cause over 20% fluctuations in molecular docking success rates, with missing bound waters identified as a key cause of docking failures.
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RadiationPhysics and Astronomy