Molecular dynamics re-refinement of two different small RNA loop structures using the original NMR data suggest a common structure
Restrained molecular dynamics simulations are a robust, though perhaps underused, tool for the end-stage refinement of biomolecular structures. We demonstrate their utility—using modern simulation protocols, optimized force fields, and inclusion of explicit solvent and mobile counterions—by re-inves...
| Main Authors: | , , |
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| Format: | Online |
| Language: | English |
| Published: |
Springer Netherlands
2012
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3405240/ |