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Biomolecular Simulations under Realistic Macroscopic Salt Conditions

Biomolecular simulations are typically performed in an aqueous environment where the number of ions remains fixed for the duration of the simulation, generally with either a minimally neutralizing ion environment or a number of salt pairs intended to match the macroscopic salt concentration. In cont...

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Detalles Bibliográficos
Publicado en:J Phys Chem B
Main Authors: Ross, Gregory A., Rustenburg, Ariën S., Grinaway, Patrick B., Fass, Josh, Chodera, John D.
Formato: Artigo
Idioma:Inglês
Publicado: 2018
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC6078207/
https://ncbi.nlm.nih.gov/pubmed/29649876
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.7b11734
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