 | Acta Crystallographica Section D Acta Crystallographica Section D BIOLOGICAL CRYSTALLOGRAPHY |
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![[Figure 6]](ba5198fig6mag.jpg)
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Figure 6
De novo design of nucleic acid domains to be used as MR search ensembles. Using a target sequence and a fragment library (left-hand panel), de novo design techniques can be used to build hundreds or thousands of models (middle panel). Each model could be scored based on an energy function and, if applicable, its accuracy of fit to an initial experimental density. Promising models could then be used as starting points for further tracing and refinement. Iterative model rebuilding and energy-guided optimization could significantly increase the quality of the final solution (right-hand panel, blue structure). |
![[Figure 6]](ba5198fig6.jpg)
| BIOLOGICAL CRYSTALLOGRAPHY |
ISSN: 1399-0047
