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Finding multiple reaction pathways via global optimization of action
Global searching for reaction pathways is a long-standing challenge in computational chemistry and biology. Most existing approaches perform only local searches due to computational complexity. Here we present a computational approach, Action-CSA, to find multiple diverse reaction pathways connectin...
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| Publicado no: | Nat Commun |
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| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5458546/ https://ncbi.nlm.nih.gov/pubmed/28548089 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/ncomms15443 |
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