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Statistical Measures to Quantify Similarity between Molecular Dynamics Simulation Trajectories
Molecular dynamics simulation is commonly employed to explore protein dynamics. Despite the disparate timescales between functional mechanisms and molecular dynamics (MD) trajectories, functional differences are often inferred from differences in conformational ensembles between two proteins in stru...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6258182/ https://www.ncbi.nlm.nih.gov/pubmed/30498328 http://dx.doi.org/10.3390/e19120646 |