Automated CryoEM Structure Fitting and Heterogeneity Exploration with Weighted Ensemble MD Simulation
Time: 12:10 pm
day: Day 2
Details:
- Cryo-electron microscopy (cryoEM) is a central part of understanding biomolecules’ conformational and compositional ensembles
- Structural modelers using cryoEM are required to model many density maps, which is intensive in time and compute resources
- OpenEye CMS has developed automated workflows, enabled on the cloud, for simultaneously producing models consistent with many maps, which provide key insights into biomolecules’ conformational ensembles
