Concepedia

Exploring the PDE5 H-pocket by ensemble docking and structure-based design and synthesis of novel β-carboline derivatives

Nermin S. Ahmed, Amal H. Ali, Shreen M. El-Nashar, Bernard D. Gary, Alexandra M. Fajardo, Heather N. Tinsley, Gary A. Piazza, Matthias Negri

European Journal of Medicinal Chemistry · 2012 · 22 citations · 32 references

DOI

Concepts

References

32

The Protein Data Bank

Helen M. Berman · Nucleic Acids Research · 2000 · 39.8K citations

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AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

Oleg Trott, Arthur J. Olson · Journal of Computational Chemistry · 2009 · 37.1K citations · Full text

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Comparative Protein Modelling by Satisfaction of Spatial Restraints

Andrej Šali, Tom L. Blundell · Journal of Molecular Biology · 1993 · 13.2K citations

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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

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Improved protein–ligand docking using GOLD

Marcel L. Verdonk, Jason C. Cole, Michael J. Hartshorn et al. · Proteins Structure Function and Bioinformatics · 2003 · 3K citations · Full text

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