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POLARIS: Path of Least Action Analysis on Energy Landscapes

Free-energy landscapes are a powerful tool for analyzing dynamical processes - capable of providing a complete mapping of a system’s configurations in state space while articulating its energetics topologically in the form of sprawling hills and valleys. Within this mapping, the path of least action...

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Detalles Bibliográficos
Publicado en:J Chem Inf Model
Autores principales: Seitz, Evan, Frank, Joachim
Formato: Artigo
Lenguaje:Inglês
Publicado: 2020
Materias:
Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC7424799/
https://ncbi.nlm.nih.gov/pubmed/31999117
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.9b01108
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