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A Practical Implicit Solvent Potential for NMR Structure Calculation

The benefits of protein structure refinement in water are well documented. However, performing structure refinement with explicit atomic representation of the solvent molecules is computationally expensive and impractical for NMR-restrained structure calculations that start from completely extended...

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Bibliographic Details
Main Authors: Tian, Ye, Schwieters, Charles D., Opella, Stanley J., Marassi, Francesca M.
Format: Artigo
Language:Inglês
Published: 2014
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC4037354/
https://ncbi.nlm.nih.gov/pubmed/24747742
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.jmr.2014.03.011
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