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Design and application of implicit solvent models in biomolecular simulations
We review implicit solvent models and their parametrisation by introducing the concepts and recent devlopments of the most popular models with a focus on parametrisation via force matching. An overview of recent applications of the solvation energy term in protein dynamics, modelling, design and pre...
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| 主要な著者: | , |
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| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
Elsevier Science
2014
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4045398/ https://ncbi.nlm.nih.gov/pubmed/24841242 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.sbi.2014.04.003 |
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