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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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| Published in: | Theor Chem Acc |
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| Main Authors: | , , |
| Format: | Artigo |
| Language: | Inglês |
| Published: |
2016
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| Subjects: | |
| Online Access: | 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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