Authors
Thomas C Terwilliger, Billy K Poon, Pavel V Afonine, Christopher J Schlicksup, Tristan I Croll, Claudia Millán, Jane S Richardson, Randy J Read, Paul D Adams
Publication date
2022/11
Journal
Nature methods
Volume
19
Issue
11
Pages
1376-1382
Publisher
Nature Publishing Group US
Description
Machine-learning prediction algorithms such as AlphaFold and RoseTTAFold can create remarkably accurate protein models, but these models usually have some regions that are predicted with low confidence or poor accuracy. We hypothesized that by implicitly including new experimental information such as a density map, a greater portion of a model could be predicted accurately, and that this might synergistically improve parts of the model that were not fully addressed by either machine learning or experiment alone. An iterative procedure was developed in which AlphaFold models are automatically rebuilt on the basis of experimental density maps and the rebuilt models are used as templates in new AlphaFold predictions. We show that including experimental information improves prediction beyond the improvement obtained with simple rebuilding guided by the experimental data. This procedure for …
Total citations
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