It is possible to determine protein structure from NOESY NMR using XPLOR-NIH if you have one non-parametrized aminoacid?

21 February 2020 0 4K Report

The problem is following, there is a protein with one unnatural amino acid, which is not parametrized in the CHARMM forcefield. Furthermore, I have a NOESY 2D H1 NMR of the protein. It is possible to use XPLOR-NIH to determine structure of the protein, if there is a lack of the force field parameters?

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