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Development of a coarse-grained water forcefield via multistate iterative Boltzmann inversion
A coarse-grained water model is developed using multistate iterative Boltzmann inversion. Following previous work, the k-means algorithm is used to dynamically map multiple water molecules to a single coarse-grained bead, allowing the use of structure-based coarse-graining methods. The model is deri...
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| 出版年: | Found Mol Model Simul (2015) |
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| 主要な著者: | , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
2016
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7262820/ https://ncbi.nlm.nih.gov/pubmed/32483559 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/978-981-10-1128-3_3 |
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