[Computational-biology] RE: [QSAR] Millisecond-Long Molecular Dynamics Simulations of Proteins on a Special-Purpose Machine

Prof. J. Andrew McCammon via comp-bio%40net.bio.net (by jmccammon from mail.ucsd.edu)
Tue Mar 22 12:55:22 EST 2011


David Shaw, our distinguished alumnus, will also present this talk on April 26 at UCSD: See http://mbtg.ucsd.edu/
The Shaw group's work is absolutely transformative.

All are welcome.

With best wishes,
--
J. Andrew McCammon
Investigator, Howard Hughes Medical Institute;
Investigator, NSF Center for Theoretical Biological Physics;
Joseph E. Mayer Professor of Theoretical Chemistry;
Distinguished Professor of Pharmacology;
University of California at San Diego;
Fellow, San Diego Supercomputer Center;
http://mccammon.ucsd.edu/

-----Original Message-----
From: qsar_society-bounces from ccl.net [mailto:qsar_society-bounces from ccl.net] On Behalf Of List for Members of Cheminformatics and QSAR Society
Sent: Monday, March 21, 2011 12:45 PM
To: comp-bio from magpie.bio.indiana.edu
Cc: chemistry from ccl.net; qsar from ccl.net; Bio-soft from magpie.bio.indiana.edu; qsar from qsar.org
Subject: [QSAR] Millisecond-Long Molecular Dynamics Simulations of Proteins on a Special-Purpose Machine

Hi all, 

Here's an interesting topic I'd like your thoughts on - please pass along to
your colleagues.

Millisecond-Long Molecular Dynamics Simulations of Proteins on a
Special-Purpose Machine

Molecular dynamics simulation provides a potentially powerful tool for
understanding the behavior
of proteins at an atomic level of detail, but its relevance to drug design
has been limited in part by
the computational demands of such simulations. There's a specialized
supercomputer, called
Anton, that has simulated the behavior of a number of proteins for periods
as long as a 
millisecond-approx. 100 times the length of the longest such simulations
previously published -
revealing pharmaceutically relevant aspects of protein dynamics that were
previously
inaccessible to both computational and experimental study. 

For further information, attend CHI's Structure-Based Drug Design conference
on June
8-10, 2011 in Cambridge, MA. http://www.healthtech.com/sbd

 

*************************



Jim Prudhomme
Cambridge Healthtech Institute
781-972-5400
jprudhomme from healthtech.com

 

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://server.ccl.net/pipermail/qsar_society/attachments/20110321/c4f8b461/attachment.html>
_______________________________________________
QSAR_Society mailing list
QSAR_Society from qsar.org
http://server.ccl.net/mailman/listinfo/qsar_society



More information about the Comp-bio mailing list