CCL: Announcement: Release of OpenGrowth 1.0
- From: "Nicolas Cheron"
<nicolas.cheron.boulot**gmail.com>
- Subject: CCL: Announcement: Release of OpenGrowth 1.0
- Date: Mon, 1 May 2017 16:08:06 -0400
Sent to CCL by: "Nicolas Cheron" [nicolas.cheron.boulot#gmail.com]
Dear colleagues,
We are very pleased to announce the official release of OpenGrowth 1.0.
OpenGrowth is an open-source program that aims at finding de novo protein
ligands. It automatically grows new molecules in the active site of
proteins by connecting small organic fragments. The growth is biased to
produce realistic molecules that have superior synthetic accessibilities
and pharmacokinetic properties than randomly grown molecules. It is
possible to grow molecules in several targets at the same time, as well as
to grow molecules from a seed (for example a pre-identified binding
fragment). All details can be found in the original publication:
http://dx.doi.org/10.1021/acs.jmedchem.5b00886.
OpenGrowth can be freely downloaded at the address:
http://opengrowth.sourceforge.net/. Pre-compiled binary
files for some
Linux distributions are available in the package, together with the source
code, the user manual and a user interface to prepare the needed files. The
resources file (Resources_1.0.2.zip) must also be downloaded prior to use.
For any questions, you can write at the address: opengrowth-
discuss-,-lists.sourceforge.net.
Sincerely,
Nicolas Chron