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SWINGER: a clustering algorithm for concurrent coupling of atomistic and supramolecular liquids
In this contribution, we review recent developments and applications of a dynamic clustering algorithm SWINGER tailored for the multiscale molecular simulations of biomolecular systems. The algorithm on-the-fly redistributes solvent molecules among supramolecular clusters. In particular, we focus on...
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| Publicado no: | Interface Focus |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Royal Society
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6501350/ https://ncbi.nlm.nih.gov/pubmed/31065343 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1098/rsfs.2018.0075 |
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