From owner-chemistry@ccl.net Mon May 20 14:52:00 2013
From: "Devang Sachdev dsachdev++nvidia.com" <owner-chemistry%%server.ccl.net>
To: CCL
Subject: CCL: Molecular Shape Searching on GPUs: A Brave New World
Message-Id: <-48716-130520143851-28248-6zhaOP6jbg/PL3KtBdsqUg%%server.ccl.net>
X-Original-From: "Devang  Sachdev" <dsachdev%x%nvidia.com>
Date: Mon, 20 May 2013 14:38:50 -0400


Sent to CCL by: "Devang  Sachdev" [dsachdev]![nvidia.com]
Hi

Join us to learn about OpenEyes recent port of the shape similarity application, ROCS, to the GPU 
which has resulted in a virtual screening tool of unprecedented power  FastROCS. FastROCS speed 
allows it to perform large-scale calculations of a kind inaccessible in the past (shape comparisons of 
millions of molecules to one another) and has accelerated more routine shape searching to the point 
that it has become competitive with more traditional, but less effective, two dimensional methods. 
Paul Hawkins, Applications Science Group Leader at OpenEye, presents some recent performance data 
on FastROCS on NVIDIA hardware and discusses some of the new applications that this speed has 
enabled. 

Register at - http://goo.gl/tg3Tz

This webinar is planned for Wednesday, May 22, 2013 9:00 AM - 10:00 AM PDT

Previous webinars:
AMBER and Kepler GPUs by Ross Walker, UCSD:  http://goo.gl/BVFmG
GROMACS and Kepler GPUs by Eril Lindahl, Stockholm University, http://goo.gl/Ej65f

Thanks
Devang Sachdev
www.linkedin.com/in/devangsachdev/