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Uncovering Large-Scale Conformational Change in Molecular Dynamics without Prior Knowledge
As the length of molecular dynamics (MD) trajectories grows with increasing computational power, so does the importance of clustering methods for partitioning trajectories into conformational bins. Of the methods available, the vast majority require users to either have some a priori knowledge about...
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| Publicado no: | J Chem Theory Comput |
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| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2016
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5719493/ https://ncbi.nlm.nih.gov/pubmed/27802394 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.6b00757 |
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