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A Framework for Conducting and Analyzing Crystal Simulations of Nucleic Acids to Aid in Modern Force Field Evaluation

Crystal simulations provide useful tools, along with solution simulations, to test nucleic acid force fields, but should be interpreted with care owing to the difficulty of establishing the environmental conditions needed to reproduce experimental crystal packing. These challenges underscore the nee...

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Detalhes bibliográficos
Publicado no:J Phys Chem B
Main Authors: Ekesan, Şölen, York, Darrin M.
Formato: Artigo
Idioma:Inglês
Publicado em: 2019
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6614744/
https://ncbi.nlm.nih.gov/pubmed/31002511
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.8b11923
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