De novo model building, refinement, and model validation using cryoEM reconstructions: Recent technological advances have made it possible to generate electron density maps at near atomic resolution using cryo-electron microscopy. At these resolutions, atomic accuracy structure determination should be possible, but current methods are insufficient. We have developed methods for de novo structure determination, iterative local rebuilding, all-atom refinement (1), and model validation (2) against single-particle cryoEM reconstructions. These methods will allow for determination of detailed atomic interactions in systems resistant to traditional structure determination methods.
1. F. DiMaio, M. Tyka, M. Baker, W. Chiu and D. Baker (2009). Refinement of protein structures into low-resolution density maps using Rosetta. Journal of Molecular Biology 392: 181-90.
2. F. DiMaio, J. Zhang, W. Chiu, D.Baker (2013). CryoEM model evaluation using independent datasets. Protein Sci. 22:865-8.