Apr 192014
 

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).

::DEVELOPER

Jacob Durrant, @ the lab of Rommie E. Amaro

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Linux / Windows/ MacOsX
  • Python

:: DOWNLOAD

CrystalDock

:: 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.

53 views

Sorry, the comment form is closed at this time.