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Using Open Data to Rapidly Benchmark Biomolecular Simulations: Phospholipid Conformational Dynamics
[Image: see text] Molecular dynamics (MD) simulations are widely used to monitor time-resolved motions of biomacromolecules, although it often remains unknown how closely the conformational dynamics correspond to those occurring in real life. Here, we used a large set of open-access MD trajectories...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7903423/ https://www.ncbi.nlm.nih.gov/pubmed/33496579 http://dx.doi.org/10.1021/acs.jcim.0c01299 |