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Peptide Backbone Sampling Convergence with the Adaptive Biasing Force Algorithm
Complete Boltzmann sampling of reaction coordinates in biomolecular systems continues to be a challenge for unbiased molecular dynamics simulations. A growing number of methods have been developed for applying biases to biomolecular systems to enhance sampling while enabling recovery of the unbiased...
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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: |
2013
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3951443/ https://ncbi.nlm.nih.gov/pubmed/23215032 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp309741j |
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