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Network Visualization of Conformational Sampling during Molecular Dynamics Simulation
Effective data reduction methods are necessary for uncovering the inherent conformational relationships present in large molecular dynamics (MD) trajectories. Clustering algorithms provide a means to interpret the conformational sampling of molecules during simulation by grouping trajectory snapshot...
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| Main Authors: | , , , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2013
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3893665/ https://ncbi.nlm.nih.gov/pubmed/24211466 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.jmgm.2013.10.003 |
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