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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Detalles Bibliográficos
Autores principales: Lee, Juyong, Lee, In-Ho, Joung, InSuk, Lee, Jooyoung, Brooks, Bernard R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5458546/
https://www.ncbi.nlm.nih.gov/pubmed/28548089
http://dx.doi.org/10.1038/ncomms15443

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5458546/
https://www.ncbi.nlm.nih.gov/pubmed/28548089
http://dx.doi.org/10.1038/ncomms15443

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