eBoxSize 1.1 – Calculating an optimal box size for Ligand Docking and Virtual Screening

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

eBoxSize

:: 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.