Concepedia

In silico virtual screening approaches for anti-viral drug discovery

Manuela S. Murgueitio, Marcel Bermúdez, Jérémie Mortier, Gerhard Wolber

Drug Discovery Today Technologies · 2012 · 115 citations · 46 references

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References

46

Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function

Garrett M. Morris, David S. Goodsell, Robert S. Halliday et al. · Journal of Computational Chemistry · 1998 · 10.8K citations

, , +17

Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen

Gareth Jones, Peter Willett, Robert C. Glen et al. · Journal of Molecular Biology · 1997 · 6.7K citations

, , +14

Glide:  A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening

Thomas A. Halgren, Robert B. Murphy, Richard A. Friesner et al. · Journal of Medicinal Chemistry · 2004 · 5.2K citations

, , +17

ZINC − A Free Database of Commercially Available Compounds for Virtual Screening

John J. Irwin, Brian K. Shoichet · Journal of Chemical Information and Modeling · 2004 · 4.1K citations · Full text

, , +15

A Fast Flexible Docking Method using an Incremental Construction Algorithm

Matthias Rarey, Bernd Krämer, Thomas Lengauer et al. · Journal of Molecular Biology · 1996 · 2.8K citations

, , +9