Concepedia

Lead Finder docking and virtual screening evaluation with Astex and DUD test sets

Fedor N. Novikov, Viktor S. Stroylov, Alexey A. Zeifman, Oleg V. Stroganov, Val Kulkov, Ghermes G. Chilov

Journal of Computer-Aided Molecular Design · 2012 · 42 citations · 13 references

DOI

Concepts

References

13

A Critical Assessment of Docking Programs and Scoring Functions

Gregory L. Warren, C. Webster Andrews, Anna‐Maria Capelli et al. · Journal of Medicinal Chemistry · 2005 · 1.7K citations

, , +23

Benchmarking Sets for Molecular Docking

Niu Huang, Brian K. Shoichet, John J. Irwin · Journal of Medicinal Chemistry · 2006 · 1.3K citations · Full text

Diverse, High-Quality Test Set for the Validation of Protein−Ligand Docking Performance

Michael J. Hartshorn, Marcel L. Verdonk, Gianni Chessari et al. · Journal of Medicinal Chemistry · 2007 · 628 citations

Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy

Jason B. Cross, David C. Thompson, K. Brajesh et al. · Journal of Chemical Information and Modeling · 2009 · 450 citations

, , +19

A new test set for validating predictions of protein–ligand interaction

J. Willem M. Nissink, Christopher W. Murray, Mike Hartshorn et al. · Proteins Structure Function and Bioinformatics · 2002 · 428 citations