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A Transferable Non-bonded Pairwise Force Field to Model Zinc Interactions in Metalloproteins
Herein we introduce a novel practical strategy to overcome the well-known challenge of modeling the divalent zinc cation in metalloproteins. The main idea is to design short-long effective functions (SLEF) to describe charge interactions between the zinc ion and all other atoms. This SLEF approach h...
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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: |
2011
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3087386/ https://ncbi.nlm.nih.gov/pubmed/21552372 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct100525r |
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