With increasing accessibility of high-performance computing resources, simulations of large and complex biomolecular assemblies may now be integrated within nearly any molecular biophysics research program. To facilitate the adoption of simulation methods, this workshop will include a combination of introductory lectures and hands-on training sessions. Each participant will use AMD High Performance Computing resources to simulate a range of systems, such as ribosomes, chromatin, the SARS-CoV-2 Spike protein and other protein-DNA systems. Experimental and computational researchers of all levels (from undergraduate to faculty) are encouraged to participate. No prior computing experience is required.
Registration fee includes breaks and lunch.
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7:30 AM
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Registration |
| 8:20 AM |
Welcome/Introduction |
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8:30 AM - 9:00 AM
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José Onuchic, Rice University, USA
Introduction to Simplified Models for Molecular Assemblies |
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9:00 AM - 9:30 AM
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Paul Whitford, Northeastern University , USA
Introduction to Structure-Based Models |
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9:30 AM - 10:30 AM
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Hands-on Session:
Simulating Large-Scale Assemblies, Part 1 |
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10:30 AM - 10:45 AM
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Coffee Break |
| 10:45 AM - 12:30 PM |
Hands-on Session:
Simulating Large-Scale Assemblies, Part 2 |
| 12:30 PM - 1:30 PM |
Lunch |
| 2:00 PM - 2:30 PM |
Vinicius Contessoto, Rice University, USA
Introduction to Coarse-Grained Models of Chromatin |
| 2:30 PM - 3:45 PM |
Hands-on session:
Simulating Chromosomes and Protein-DNA Interactions, Part 1 |
| 3:45 PM - 4:00 PM |
Coffee Break |
| 4:00 PM - 6:00 PM |
Hands-on Session:
Simulating Chromosomes and Protein-DNA Interactions, Part 2 |
| 6:00 PM |
Closing remarks |
Sponsored by: