From owner-chemistry@ccl.net Sat Sep 17 17:18:00 2016
From: "Michael K Gilson mgilson-,-ucsd.edu" <owner-chemistry---server.ccl.net>
To: CCL
Subject: CCL: D3R Protein-Ligand Prediction Challenge Opening Monday, 9/19/2016
Message-Id: <-52379-160917171717-23661-/lRSjRLr/s3K/04lgiS3Hg---server.ccl.net>
X-Original-From: "Michael K Gilson" <mgilson**ucsd.edu>
Date: Sat, 17 Sep 2016 17:17:16 -0400


Sent to CCL by: "Michael K Gilson" [mgilson-,-ucsd.edu]
Dear Colleagues,

A new blinded challenge for protein-ligand docking, scoring, and free 
energy predictions opens this coming Monday, September 19.  

The protein target is the Farnesoid X receptor (FXR) target, and the 
dataset, contributed by Roche, comprises 36 co-crystal structures and 102 
measured IC50s.  

Stage 1 -- pose predictions and, optionally, IC50 predictions or rankings -
- closes November 21

State 2 -- IC50 predictions or rankings -- closes February 1.

For details and to join, go to https://drugdesigndata.org/about/grand-
challenge-2016

Happy Docking!
The D3R Team
__drugdesigndata