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Assessing and refining molecular dynamics simulations of proteins with nuclear magnetic resonance data
The sophistication of the force fields, algorithms and hardware used for molecular dynamics (MD) simulations of proteins is continuously increasing. No matter how advanced the methodology, however, it is essential to evaluate the appropriateness of the structures sampled in a simulation by compariso...
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| Опубликовано в: : | Biophys Rev |
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| Главный автор: | |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
Springer Berlin Heidelberg
2012
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| Предметы: | |
| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5418404/ https://ncbi.nlm.nih.gov/pubmed/28510078 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s12551-012-0087-6 |
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