Since many of the groups in CTBP rely heavily the development and application of novel computing tools, we have established a Computing Working Group.  This group involves CTBP graduate students, postdocs and faculty, as well as collaborators.  The idea is that pooling our collective knowledge can lower technical barriers, which will facilitate more exciting scientific progress. Since many groups are working with openMM, we are beginning with discussions that focus on this particular tool.  However, we plan to expand the scope of this working group, as needed.

If you are interested in participating in this working group, please sign up for the listserve HERE

We have concluded the scheduled meetings for Spring 2021.  We plan to resume talks, as topics arise. 

Presentations from past meeting

April 21, 2021 - Wei Lu - Building a coarse-grained force field with openMM

May 5, 2021 - Carlos Bueno

May 19, 2021 - Vinicius Contessoto and Antonio Junior 

June 2, 2021 - Iryna Zaporozhets - Parameterization of coarse-grained protein models based on experimental data

June 16, 2021 - Paul Whitford - Basic HPC Considerations

September 22, 2021 - Paul Whitford - Visualization Tips




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