CrystalDock 1.0.0
:: DESCRIPTION
CrystalDock is a computer algorithm that aids the computational identification of molecular fragments predicted to bind a receptor pocket of interest. CrystalDock makes direct use of crystallographic and NMR structures from the Protein Data Bank (PDB).
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::DEVELOPER
:: SCREENSHOTS
N/A
:: REQUIREMENTS
- Linux / Windows/ MacOsX
- Python
:: DOWNLOAD
:: MORE INFORMATION
Citation
J Chem Inf Model. 2011 Oct 24;51(10):2573-80. doi: 10.1021/ci200357y. Epub 2011 Oct 5.
CrystalDock: a novel approach to fragment-based drug design.
Durrant JD1, Friedman AJ, McCammon JA.