[LA-SiGMA-gpu] GPU meeting Thursday (10/24)

[Wei P Feinstein]

Hi All,

We will have our weekly GPU seminar this Thursday (10/24) at 10034 Digital Media Center.

Dr. Thomas Cheatham from University of Utah will present.  The title of his talk is "Analysis, assessment, validation, and dissemination of ensembles of large-scale MD simulation data enabled by AMBER on GPUs: Applications to nucleic acid structure and dynamics".  The abstract of his talk is as follows:

Abstract:
**********
A long term goal of our research efforts has been to critically assess and validate the simulation methodologies and force fields for nucleic acids. Molecular dynamics simulations of nucleic acids are particular challenging due to high their high flexibility and ability to populate multiple conformations depending on the environment. Moreover, force field development has lagged similar efforts in modeling proteins. Enabled by access to Blue Waters and other large-scale GPU and specialized resources, we are able to really push towards better understanding nucleic acid structure and dynamics. With access to large-scale resources, it becomes easy to apply ensemble methods to more quickly explore conformational space. This is allowing a more detailed assessment and validation of the  performance of the methods but is quickly leading to serious data-overload. This growth in data is pushing us to develop new parallelized analysis methods and to explore better means to share and disseminate the data.

PIZZA AND DRINK WILL BE PROVIDED.

Time: 12:30PM~1:30PM CST
location: 10034 Digital Media Center

The meeting will be shared through adobe connect:
http://connect.lsu.edu/gpu/

Best,
Wei

Wei Feinstein, Ph.D.
Computational Biology
Louisiana State University
e-mail: wfeinstein at lsu.edu
Lab: http://brylinski.cct.lsu.edu<http://brylinski.cct.lsu.edu/home>
Tel: 251-599-3814

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