Desmond 3.0 Tutorial, Oct 5 in Boston, MA

From: Ben Eisenbraun
Date: 22 September 2011 17:29


We have a few final slots open in this tutorial on using the Desmond
molecular dynamics software.

The SBGrid Consortium would like to invite you to a workshop to be held at
Harvard Medical School:

Desmond 3.0 Tutorial

Dr. Istvan Kolossváry,
D.E. Shaw Research

Wednesday, October 5, 2011
9:30am-5:00pm
Countway Library, Computing Room L2-025
Harvard Medical School
10 Shattuck St, Boston, MA  02115

Hosted by:  Piotr Sliz

Registration required ($55/per person including lunch)

Registration spaces are very limited and will be reserved on a first
come/first served basis.

To register to please go to: https://www.events.harvard.edu/web/4732

Abstract:  The tutorial will include hands-on exercises in preparing
structure files, simulating the system, and analyzing results.   We will
start with simple protein simulations as well as basic workflow issues,
followed by configuring advanced options, preparing a membrane protein
simulation, an example of FEP relative binding free energy calculation,
and, if time permits, a metadynamics example.  Each participant will have a
dedicated remote server running Desmond on the Amazon CC2 cloud.

-ben

--
| Ben Eisenbraun
| SBGrid Consortium                          | http://sbgrid.org       |
| Harvard Medical School                     | http://hms.harvard.edu  |

----------
From: William G. Scott


On Sep 22, 2011, at 9:29 AM, Ben Eisenbraun wrote:

> Desmond 3.0 Tutorial

2.2  was quite impressive.

(sorry.)