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A minimization principle for transition paths of maximum flux for collective variables
Considered is the construction of transition paths of conformational changes for proteins and other macromolecules, using methods that do not require the generation of dynamics trajectories. Special attention is given to the use of a reduced set of collective variables for describing such paths. A f...
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| 出版年: | Theor Chem Acc |
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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/PMC5722035/ https://ncbi.nlm.nih.gov/pubmed/29225509 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00214-016-2041-3 |
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