LigMerge 1 – Generate models of novel potential Ligands from sets of known Binders

LigMerge 1

:: DESCRIPTION

LigMerge is a novel drug-design algorithm which combines structures of known binders to generate similar but structurally distinct compounds that can be tested for binding.

::DEVELOPER

Jacob Durrant, @ the lab of Rommie E. Amaro

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Linux / Windows/ MacOsX
  • Python

:: DOWNLOAD

LigMerge

:: MORE INFORMATION

Citation

Chem Biol Drug Des. 2012 Sep;80(3):358-65. doi: 10.1111/j.1747-0285.2012.01414.x. Epub 2012 Jun 27.
LigMerge: a fast algorithm to generate models of novel potential ligands from sets of known binders.
Lindert S, Durrant JD, McCammon JA.