eBoxSize 1.1
:: DESCRIPTION
eBoxSize calculates an optimal box size for a query ligand in order to maximize the accuracy of molecular docking.
::DEVELOPER
Computational Systems Biology Group,
:: SCREENSHOTS
N/A
:: REQUIREMENTS
- Linux
- Perl
:: DOWNLOAD
:: MORE INFORMATION
Citation
Feinstein WP, Brylinski M.
Calculating an optimal box size for ligand docking and virtual screening against experimental and predicted binding pockets.
J Cheminform. 2015 May 15;7:18. doi: 10.1186/s13321-015-0067-5. PMID: 26082804; PMCID: PMC4468813.