Modelling dynamics in protein crystal structures by ensemble refinement
Single-structure models derived from X-ray data do not adequately account for the inherent, functionally important dynamics of protein molecules. We generated ensembles of structures by time-averaged refinement, where local molecular vibrations were sampled by molecular-dynamics (MD) simulation whil...
| Main Authors: | , , , |
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| פורמט: | Article |
| שפה: | English |
| יצא לאור: |
eLife Sciences Publications Ltd
2012-12-01
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| סדרה: | eLife |
| נושאים: | |
| גישה מקוונת: | https://elifesciences.org/articles/00311 |